![AJX AJX](https://data.pdbj.org/pdbjplus/data/cc/svg/AJX.svg) | AJX | Name: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C23 H26 N2 O3 | SMILES: | c4c3C(CCCc1cnc2ccccc12)N(CCc3cc(c4OC)OC)C=O | InChi: | InChI=1S/C23H26N2O3/c1-27-22-12-16-10-11-25(15-26)21(19(16)13-23(22)28-2)9-5-6-17-14-24-20-8-4-3-7-18(17)20/h3-4,7-8,12-15,21,24H,5-6,9-11H2,1-2H3/t21-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AK0 AK0](https://data.pdbj.org/pdbjplus/data/cc/svg/AK0.svg) | AK0 | Name: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C22 H23 F N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F | InChi: | InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![D6C D6C](https://data.pdbj.org/pdbjplus/data/cc/svg/D6C.svg) | D6C | Name: | [(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate | Formula: | C22 H26 N2 O4 S | SMILES: | COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O | InChi: | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m0/s1 | Definition date: | 2019-07-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | [(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate |
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![AKO AKO](https://data.pdbj.org/pdbjplus/data/cc/svg/AKO.svg) | AKO | Name: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C23 H26 N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)C | InChi: | InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![AKU AKU](https://data.pdbj.org/pdbjplus/data/cc/svg/AKU.svg) | AKU | Name: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C22 H24 N2 O3 | SMILES: | c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4 | InChi: | InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-11-08 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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![BI7 BI7](https://data.pdbj.org/pdbjplus/data/cc/svg/BI7.svg) | BI7 | Name: | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium | Formula: | C22 H28 Cl N4 O3 S | SMILES: | C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4cc(on4)c5sc(Cl)cc5 | InChi: | InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)18-14-6-4-9-25(14)20(19(18)22(26)29)13-12-15(30-24-13)16-7-8-17(23)31-16/h7-8,12,14,18-20H,4-6,9-11H2,1-3H3/q+1/t14-,18-,19-,20-/m0/s1 | Definition date: | 2008-08-28 | Last modified: | 2019-10-18 | Identifier: | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium |
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![AWX AWX](https://data.pdbj.org/pdbjplus/data/cc/svg/AWX.svg) | AWX | Name: | N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Formula: | C25 H22 N6 O3 | SMILES: | C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O | InChi: | InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33) | Definition date: | 2018-12-04 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide |
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![AXU AXU](https://data.pdbj.org/pdbjplus/data/cc/svg/AXU.svg) | AXU | Name: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one | Formula: | C21 H17 N5 O2 | SMILES: | Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccccc5 | InChi: | InChI=1S/C21H17N5O2/c1-11-8-9-15-14(10-11)12(2)19(28-15)18-16-17(21(27)24-23-20(16)22)25-26(18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,22,23)(H,24,27) | Definition date: | 2018-12-05 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one |
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![BO6 BO6](https://data.pdbj.org/pdbjplus/data/cc/svg/BO6.svg) | BO6 | Name: | 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole | Formula: | C28 H25 N3 | SMILES: | C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+](C)cc5)cc4c3c2)cc1 | InChi: | InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1 | Definition date: | 2019-02-25 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 3,6-bis[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9~{H}-carbazole |
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![H9E H9E](https://data.pdbj.org/pdbjplus/data/cc/svg/H9E.svg) | H9E | Name: | [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide | Formula: | C9 H9 B Br O3 S | SMILES: | O[B-](O)(O)c1sc2ccc(CBr)cc2c1 | InChi: | InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1 | Definition date: | 2018-12-03 | Last modified: | 2019-10-18 | Release date: | 2019-05-15 | Identifier: | [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide |
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![BVZ BVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BVZ.svg) | BVZ | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide | Formula: | C21 H25 B N3 O5 S | SMILES: | O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | InChi: | InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1 | Definition date: | 2017-10-19 | Last modified: | 2019-10-18 | Release date: | 2018-10-31 | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide |
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![V77 V77](https://data.pdbj.org/pdbjplus/data/cc/svg/V77.svg) | V77 | Name: | {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | Formula: | C16 H23 Cl O3 | SMILES: | c1c(ccc(C(CCCCCCC)OCC(=O)O)c1)Cl | InChi: | InChI=1S/C16H23ClO3/c1-2-3-4-5-6-7-15(20-12-16(18)19)13-8-10-14(17)11-9-13/h8-11,15H,2-7,12H2,1H3,(H,18,19)/t15-/m0/s1 | Definition date: | 2018-10-17 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid |
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![VV7 VV7](https://data.pdbj.org/pdbjplus/data/cc/svg/VV7.svg) | VV7 | Name: | DENDRON-D3 | Formula: | C69 H77 N20 O39 | SMILES: | [O][C][C]1O[C]([C]([O])[C]([O])[C]1[O])n2cc(OC[C](COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)(COCc5cn(nn5)[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)NC(=O)c7cc(CO)cc(c7)C(=O)N[C](COCc8cn(nn8)[C]9O[C]([C][O])[C]([O])[C]([O])[C]9[O])(COCc%10cn(nn%10)[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%11O)OCc%12cn(nn%12)[CH]%13O[CH](CO)[CH](O)[CH](O)[CH]%13O)nn2 | InChi: | InChI=1S/C69H100N20O39/c90-10-27-1-28(60(115)70-68(24-121-41-9-89(83-77-41)67-59(114)53(108)47(102)40(16-96)128-67,22-117-17-30-4-84(78-72-30)62-54(109)48(103)42(97)35(11-91)123-62)23-118-18-31-5-85(79-73-31)63-55(110)49(104)43(98)36(12-92)124-63)3-29(2-27)61(116)71-69(122-21-34-8-88(82-76-34)66-58(113)52(107)46(101)39(15-95)127-66,25-119-19-32-6-86(80-74-32)64-56(111)50(105)44(99)37(13-93)125-64)26-120-20-33-7-87(81-75-33)65-57(112)51(106)45(100)38(14-94)126-65/h1-9,35-40,42-59,62-67,90-114H,10-26H2,(H,70,115)(H,71,116)/t35-,36+,37-,38?,39+,40?,42-,43-,44-,45?,46-,47?,48+,49?,50+,51?,52?,53?,54-,55?,56-,57?,58?,59?,62-,63+,64-,65?,66+,67?,68+,69+/m0/s1 | Definition date: | 2014-09-04 | Last modified: | 2019-10-17 | Release date: | 2014-11-12 |
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![G0Z G0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/G0Z.svg) | G0Z | Name: | [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C31 H45 N15 O22 P4 S | SMILES: | CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=NC6C5N=CN=C6N)n7cnc8c(N)ncnc78)[CH](O)[CH]2O)C9=C1C(=O)NC(=N9)N | InChi: | InChI=1S/C31H45N15O22P4S/c1-43-9-46(26-15(43)27(52)42-31(34)41-26)29-19(50)17(48)11(64-29)3-61-70(55,56)67-72(59,73)68-71(57,58)62-4-12-21(20(51)30(65-12)45-8-40-14-23(33)36-6-38-25(14)45)66-69(53,54)60-2-10-16(47)18(49)28(63-10)44-7-39-13-22(32)35-5-37-24(13)44/h5-8,10-13,16-21,24,28-30,47-51H,2-4,9H2,1H3,(H,53,54)(H,55,56)(H,57,58)(H,59,73)(H2,32,35,37)(H2,33,36,38)(H3,34,41,42,52)/t10-,11-,12-,13?,16-,17-,18-,19-,20-,21-,24?,28-,29-,30-,72-/m1/s1 | Definition date: | 2018-08-21 | Last modified: | 2019-10-17 | Release date: | 2019-06-19 | Identifier: | [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![NBR NBR](https://data.pdbj.org/pdbjplus/data/cc/svg/NBR.svg) | NBR | Name: | 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine | Formula: | C30 H36 N4 O2 | SMILES: | CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1 | InChi: | InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2 | Definition date: | 2016-01-13 | Last modified: | 2019-10-17 | Release date: | 2016-03-23 | Identifier: | 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-~{N},~{N}-dimethyl-pyridin-1-ium-4-amine |
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![BVN BVN](https://data.pdbj.org/pdbjplus/data/cc/svg/BVN.svg) | BVN | Name: | 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate | Formula: | C22 H27 N3 O5 | SMILES: | CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 | InChi: | InChI=1S/C22H27N3O5/c1-3-24(4-2)15-16-30-22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,23H,3-4,13-16H2,1-2H3 | Definition date: | 2017-10-17 | Last modified: | 2019-10-17 | Release date: | 2018-10-31 | Identifier: | 2-(diethylamino)ethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate |
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![GUX GUX](https://data.pdbj.org/pdbjplus/data/cc/svg/GUX.svg) | GUX | Name: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid | Formula: | C15 H26 N4 O5 | SMILES: | O[CH]1[CH](O)[CH]2[CH]([CH]([CH]1O)C(O)=O)N2CCCCCCCCN=[N+]=[N-] | InChi: | InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11+,12+,13-,14-,19-/m0/s1 | Definition date: | 2016-06-02 | Last modified: | 2019-10-16 | Release date: | 2017-05-31 | Identifier: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-(8-azidooctyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
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![ETW ETW](https://data.pdbj.org/pdbjplus/data/cc/svg/ETW.svg) | ETW | Name: | 5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid | Formula: | C29 H21 N O6 | SMILES: | Cc1ccc(CNC(=O)c2ccc(c(c2)C(O)=O)C3=C4C=CC(=O)C=C4Oc5cc(O)ccc35)cc1 | InChi: | InChI=1S/C29H21NO6/c1-16-2-4-17(5-3-16)15-30-28(33)18-6-9-21(24(12-18)29(34)35)27-22-10-7-19(31)13-25(22)36-26-14-20(32)8-11-23(26)27/h2-14,31H,15H2,1H3,(H,30,33)(H,34,35) | Definition date: | 2018-04-11 | Last modified: | 2019-10-16 | Release date: | 2018-05-09 | Identifier: | 5-[(4-methylphenyl)methylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid |
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![G6W G6W](https://data.pdbj.org/pdbjplus/data/cc/svg/G6W.svg) | G6W | Name: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide | Formula: | C14 H17 N5 O2 S | SMILES: | CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2 | InChi: | InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21) | Definition date: | 2018-08-29 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide |
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![L0N L0N](https://data.pdbj.org/pdbjplus/data/cc/svg/L0N.svg) | L0N | Name: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C30 H36 N6 O2 | SMILES: | CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OCC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C30H36N6O2/c1-5-25(37)33-23-8-6-7-22(17-23)26-27-29(31-19-32-30(27)38-18-20(2)3)34-28(26)21-9-11-24(12-10-21)36-15-13-35(4)14-16-36/h6-12,17,19-20H,5,13-16,18H2,1-4H3,(H,33,37)(H,31,32,34) | Definition date: | 2019-07-09 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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![L0Q L0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L0Q.svg) | L0Q | Name: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C29 H34 N6 O2 | SMILES: | CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C29H34N6O2/c1-5-24(36)32-22-8-6-7-21(17-22)25-26-28(30-18-31-29(26)37-19(2)3)33-27(25)20-9-11-23(12-10-20)35-15-13-34(4)14-16-35/h6-12,17-19H,5,13-16H2,1-4H3,(H,32,36)(H,30,31,33) | Definition date: | 2019-07-09 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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![L1W L1W](https://data.pdbj.org/pdbjplus/data/cc/svg/L1W.svg) | L1W | Name: | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | Formula: | C39 H38 N6 O4 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)cc6)c7ccccc7)c2c1 | InChi: | InChI=1S/C39H38N6O4/c1-2-35(47)40-29-14-17-32-34(23-29)45(39(49)42-32)30-18-20-44(21-19-30)24-26-8-12-28(13-9-26)36-37(27-6-4-3-5-7-27)43-38(48)33(41-36)22-25-10-15-31(46)16-11-25/h3-17,23,30,46H,2,18-22,24H2,1H3,(H,40,47)(H,42,49)(H,43,48) | Definition date: | 2019-07-15 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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![L1Z L1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L1Z.svg) | L1Z | Name: | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | Formula: | C33 H34 N6 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1 | InChi: | InChI=1S/C33H34N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h4-14,19,26H,3,15-18,20H2,1-2H3,(H,35,40)(H,36,42)(H,37,41) | Definition date: | 2019-07-15 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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![JX4 JX4](https://data.pdbj.org/pdbjplus/data/cc/svg/JX4.svg) | JX4 | Name: | 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine | Formula: | C21 H23 N7 O | SMILES: | c1c(c(OC)cc2ncc(n12)c3nc(ccc3)NC4CNCC4)c5cn(C)nc5 | InChi: | InChI=1S/C21H23N7O/c1-27-12-14(9-24-27)16-13-28-18(11-23-21(28)8-19(16)29-2)17-4-3-5-20(26-17)25-15-6-7-22-10-15/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3,(H,25,26)/t15-/m1/s1 | Definition date: | 2018-10-05 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine |
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![K5T K5T](https://data.pdbj.org/pdbjplus/data/cc/svg/K5T.svg) | K5T | Name: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid | Formula: | C27 H47 N11 O11 | SMILES: | C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[CH](C)C(O)=O)C(N)=O | InChi: | InChI=1S/C27H47N11O11/c1-14(29)25(46)38-16(24(30)45)6-7-18(39)37-17(26(47)36-15(2)27(48)49)5-3-4-8-31-20(41)10-33-22(43)12-35-23(44)13-34-21(42)11-32-19(40)9-28/h14-17H,3-13,28-29H2,1-2H3,(H2,30,45)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,39)(H,38,46)(H,48,49)/t14-,15+,16+,17-/m0/s1 | Definition date: | 2019-04-26 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid |
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