![GXO GXO](https://data.pdbj.org/pdbjplus/data/cc/svg/GXO.svg) | GXO | Name: | [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | Formula: | C40 H51 F4 N5 O9 S | SMILES: | CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6 | InChi: | InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1 | Definition date: | 2020-10-06 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate |
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![DS9 DS9](https://data.pdbj.org/pdbjplus/data/cc/svg/DS9.svg) | DS9 | Name: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one | Formula: | C16 H15 F N4 O | SMILES: | C[C]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45 | InChi: | InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1 | Definition date: | 2019-08-23 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 |
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![L2Z L2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L2Z.svg) | L2Z | Name: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C23 H27 N3 O6 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4 | InChi: | InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28) | Definition date: | 2019-07-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![LH9 LH9](https://data.pdbj.org/pdbjplus/data/cc/svg/LH9.svg) | LH9 | Name: | [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate | Formula: | C20 H38 O4 | SMILES: | CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h8-9,19,21-22H,2-7,10-18H2,1H3/t19-/m0/s1 | Definition date: | 2020-09-11 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate |
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![D6O D6O](https://data.pdbj.org/pdbjplus/data/cc/svg/D6O.svg) | D6O | Name: | (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid | Formula: | C5 H5 N O4 | SMILES: | OC(=O)C=CC(=O)NC=O | InChi: | InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1- | Definition date: | 2019-07-11 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid |
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![NEK NEK](https://data.pdbj.org/pdbjplus/data/cc/svg/NEK.svg) | NEK | Name: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid | Formula: | C10 H11 N O4 | SMILES: | OC(=O)CCON=Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H11NO4/c12-9-3-1-8(2-4-9)7-11-15-6-5-10(13)14/h1-4,7,12H,5-6H2,(H,13,14)/b11-7+ | Definition date: | 2019-11-26 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid |
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![NKB NKB](https://data.pdbj.org/pdbjplus/data/cc/svg/NKB.svg) | NKB | Name: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole | Formula: | C6 H2 Br3 N3 | SMILES: | Brc1cc2nn[nH]c2c(Br)c1Br | InChi: | InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12) | Definition date: | 2019-12-03 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole |
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![NKT NKT](https://data.pdbj.org/pdbjplus/data/cc/svg/NKT.svg) | NKT | Name: | 6,7-bis(bromanyl)-1~{H}-benzotriazole | Formula: | C6 H3 Br2 N3 | SMILES: | Brc1ccc2nn[nH]c2c1Br | InChi: | InChI=1S/C6H3Br2N3/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,(H,9,10,11) | Definition date: | 2019-12-03 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6,7-bis(bromanyl)-1~{H}-benzotriazole |
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![NKZ NKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/NKZ.svg) | NKZ | Name: | 7-bromanyl-1~{H}-benzotriazole | Formula: | C6 H4 Br N3 | SMILES: | Brc1cccc2nn[nH]c12 | InChi: | InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10) | Definition date: | 2019-12-03 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 7-bromanyl-1~{H}-benzotriazole |
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![RSN RSN](https://data.pdbj.org/pdbjplus/data/cc/svg/RSN.svg) | RSN | Name: | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid | Formula: | C17 H23 N5 O10 S | SMILES: | N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23 | InChi: | InChI=1S/C17H23N5O10S/c18-8-1-7(4-23)2-10-13(8)22(6-20-10)17-15(27)14(26)11(32-17)5-31-33(29,30)21-16(28)9(19)3-12(24)25/h1-2,6,9,11,14-15,17,23,26-27H,3-5,18-19H2,(H,21,28)(H,24,25)/t9-,11+,14+,15+,17+/m0/s1 | Definition date: | 2020-10-20 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid |
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![VYM VYM](https://data.pdbj.org/pdbjplus/data/cc/svg/VYM.svg) | VYM | Name: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone | Formula: | C13 H16 N2 O | SMILES: | C(C1CC1)(=O)N3CCCc2ccc(cc23)N | InChi: | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 | Definition date: | 2020-09-22 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
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![S9Q S9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/S9Q.svg) | S9Q | Name: | 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one | Formula: | C16 H14 Cl F3 N4 O2 | SMILES: | FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 | InChi: | InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26) | Definition date: | 2020-11-13 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one |
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![QOG QOG](https://data.pdbj.org/pdbjplus/data/cc/svg/QOG.svg) | QOG | Name: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide | Formula: | C6 H11 N5 O3 S2 | SMILES: | C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1 | InChi: | InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12) | Definition date: | 2019-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide |
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![QPY QPY](https://data.pdbj.org/pdbjplus/data/cc/svg/QPY.svg) | QPY | Name: | benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate | Formula: | C24 H25 N9 O5 | SMILES: | C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O | InChi: | InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1 | Definition date: | 2019-12-06 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate |
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![QQP QQP](https://data.pdbj.org/pdbjplus/data/cc/svg/QQP.svg) | QQP | Name: | N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide | Formula: | C19 H15 F3 N8 O3 | SMILES: | n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4 | InChi: | InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33) | Definition date: | 2019-12-09 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
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![X1Y X1Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X1Y.svg) | X1Y | Name: | (2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol | Formula: | C10 H20 N2 O2 | SMILES: | N1(C(O)NC(O)CC1)C2CCCCC2 | InChi: | InChI=1S/C10H20N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8-11,13-14H,1-7H2/t9-,10-/m1/s1 | Definition date: | 2020-11-23 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | (2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol |
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![RJH RJH](https://data.pdbj.org/pdbjplus/data/cc/svg/RJH.svg) | RJH | Name: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea | Formula: | C21 H25 Cl N6 O4 | SMILES: | COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 | InChi: | InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
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![RJK RJK](https://data.pdbj.org/pdbjplus/data/cc/svg/RJK.svg) | RJK | Name: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea | Formula: | C20 H19 Br Cl N5 O2 | SMILES: | NCc1cnn(c1)c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl | InChi: | InChI=1S/C20H19BrClN5O2/c21-14-1-4-19-13(5-14)6-16(11-29-19)26-20(28)25-15-2-3-18(17(22)7-15)27-10-12(8-23)9-24-27/h1-5,7,9-10,16H,6,8,11,23H2,(H2,25,26,28)/t16-/m1/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea |
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![QRV QRV](https://data.pdbj.org/pdbjplus/data/cc/svg/QRV.svg) | QRV | Name: | 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium | Formula: | C20 H27 F N6 O8 P | SMILES: | c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC(N)=N2)=O)[n+]3CCN(c4ccccc4)CCO | InChi: | InChI=1S/C20H26FN6O8P/c21-14-16(29)13(10-34-36(31,32)33)35-19(14)27-11-26(15-17(27)23-20(22)24-18(15)30)7-6-25(8-9-28)12-4-2-1-3-5-12/h1-5,11,13-14,16,19,28-29H,6-10H2,(H4-,22,23,24,30,31,32,33)/p+1/t13-,14+,16-,19-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium |
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![X4P X4P](https://data.pdbj.org/pdbjplus/data/cc/svg/X4P.svg) | X4P | Name: | 2-chloropyridine-4-carboxamide | Formula: | C6 H5 Cl N2 O | SMILES: | C(N)(c1cc(Cl)ncc1)=O | InChi: | InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10) | Definition date: | 2020-11-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-chloropyridine-4-carboxamide |
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![X4V X4V](https://data.pdbj.org/pdbjplus/data/cc/svg/X4V.svg) | X4V | Name: | N~4~,N~4~-dimethylpyridine-2,4-diamine | Formula: | C7 H11 N3 | SMILES: | CN(C)c1ccnc(c1)N | InChi: | InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9) | Definition date: | 2020-11-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | N~4~,N~4~-dimethylpyridine-2,4-diamine |
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![X4Y X4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X4Y.svg) | X4Y | Name: | (3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine | Formula: | C9 H18 N2 O | SMILES: | C2C(C1CC(N)ON1)CCCC2 | InChi: | InChI=1S/C9H18N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h7-9,11H,1-6,10H2/t8-,9+/m0/s1 | Definition date: | 2020-11-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | (3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine |
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![UHJ UHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UHJ.svg) | UHJ | Name: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide | Formula: | C16 H14 N4 O3 S2 | SMILES: | CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O | InChi: | InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7- | Definition date: | 2019-11-08 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
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![SV5 SV5](https://data.pdbj.org/pdbjplus/data/cc/svg/SV5.svg) | SV5 | Name: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one | Formula: | C14 H12 N2 O | SMILES: | O=C1NC=Cc2n(Cc3ccccc3)ccc12 | InChi: | InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17) | Definition date: | 2020-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one |
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![SVK SVK](https://data.pdbj.org/pdbjplus/data/cc/svg/SVK.svg) | SVK | Name: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine | Formula: | C14 H12 N2 | SMILES: | C(c1ccccc1)c2c[nH]c3ncccc23 | InChi: | InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16) | Definition date: | 2020-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine |
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