![AQE AQE](https://data.pdbj.org/pdbjplus/data/cc/svg/AQE.svg) | AQE | Name: | 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole | Formula: | C19 H23 N5 S | SMILES: | C1CC[C]2(CCCN(C2)c3ccnc4[nH]cc(c5sccn5)c34)NC1 | InChi: | InChI=1S/C19H23N5S/c1-2-7-23-19(5-1)6-3-10-24(13-19)15-4-8-20-17-16(15)14(12-22-17)18-21-9-11-25-18/h4,8-9,11-12,23H,1-3,5-7,10,13H2,(H,20,22)/t19-/m0/s1 | Definition date: | 2017-08-22 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole |
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![DKM DKM](https://data.pdbj.org/pdbjplus/data/cc/svg/DKM.svg) | DKM | Name: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid | Formula: | C20 H21 F N4 O4 S | SMILES: | N5(c1c4c2N3C(=C(C(=O)c2cc1F)C(=O)O)SC=C3CN4C)CC(O)C(C5)N(C)C | InChi: | InChI=1S/C20H21FN4O4S/c1-22(2)12-6-24(7-13(12)26)16-11(21)4-10-15-17(16)23(3)5-9-8-30-19(25(9)15)14(18(10)27)20(28)29/h4,8,12-13,26H,5-7H2,1-3H3,(H,28,29)/t12-,13-/m0/s1 | Definition date: | 2017-10-30 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid |
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![DOW DOW](https://data.pdbj.org/pdbjplus/data/cc/svg/DOW.svg) | DOW | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside | Formula: | C20 H36 N5 O11 P | SMILES: | OP(O)(=O)OCc1c(c(O)c(C)nc1)CNCC2C(O)C(C(C(O2)OC3C(C(C(CC3N)N)O)O)N)O | InChi: | InChI=1S/C20H36N5O11P/c1-7-14(26)9(8(3-25-7)6-34-37(31,32)33)4-24-5-12-16(28)17(29)13(23)20(35-12)36-19-11(22)2-10(21)15(27)18(19)30/h3,10-13,15-20,24,26-30H,2,4-6,21-23H2,1H3,(H2,31,32,33)/t10-,11+,12-,13-,15+,16-,17-,18-,19-,20-/m1/s1 | Definition date: | 2018-02-06 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside |
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![D48 D48](https://data.pdbj.org/pdbjplus/data/cc/svg/D48.svg) | D48 | Name: | naphthalene-2,3-diol | Formula: | C10 H8 O2 | SMILES: | Oc1cc2ccccc2cc1O | InChi: | InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H | Definition date: | 2017-12-18 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | naphthalene-2,3-diol |
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![D8K D8K](https://data.pdbj.org/pdbjplus/data/cc/svg/D8K.svg) | D8K | Name: | ~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | Formula: | C27 H33 F N6 O7 | SMILES: | Cc1onc(c1)C(=O)N[CH]2CNC(=O)[CH]3CCCN3C(=O)CC[CH](CO)NC(=O)[CH](Cc4ccc(F)cc4)NC2=O | InChi: | InChI=1S/C27H33FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,18-19,21-22,35H,2-3,8-10,12-14H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1 | Definition date: | 2018-01-09 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | ~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide |
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![OZY OZY](https://data.pdbj.org/pdbjplus/data/cc/svg/OZY.svg) | OZY | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | Formula: | C31 H56 N7 O18 P | SMILES: | O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O)O)N)C(N)CC(C5O)N)N)O)O)C | InChi: | InChI=1S/C31H56N7O18P/c1-9-19(40)11(10(4-38-9)8-50-57(47,48)49)5-37-6-15-22(43)24(45)18(36)30(52-15)55-27-16(7-39)53-31(25(27)46)56-28-20(41)12(33)2-13(34)26(28)54-29-17(35)23(44)21(42)14(3-32)51-29/h4,12-18,20-31,37,39-46H,2-3,5-8,32-36H2,1H3,(H2,47,48,49)/t12-,13+,14-,15-,16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1 | Definition date: | 2018-02-06 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
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![6Y5 6Y5](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y5.svg) | 6Y5 | Name: | 5-fluoranyl-2-oxidanylidene-pentanoic acid | Formula: | C5 H7 F O3 | SMILES: | OC(=O)C(=O)CCCF | InChi: | InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9) | Definition date: | 2016-07-21 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 5-fluoranyl-2-oxidanylidene-pentanoic acid |
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![6YV 6YV](https://data.pdbj.org/pdbjplus/data/cc/svg/6YV.svg) | 6YV | Name: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid | Formula: | C9 H9 B O4 | SMILES: | OB(O)c1ccccc1C=CC(O)=O | InChi: | InChI=1S/C9H9BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6,13-14H,(H,11,12)/b6-5+ | Definition date: | 2016-07-27 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
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![7DH 7DH](https://data.pdbj.org/pdbjplus/data/cc/svg/7DH.svg) | 7DH | Name: | (3E)-5-hydroxy-2-oxopent-3-enoic acid | Formula: | C5 H6 O4 | SMILES: | C(O)C=CC(C(=O)O)=O | InChi: | InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+ | Definition date: | 2016-10-10 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (3E)-5-hydroxy-2-oxopent-3-enoic acid |
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![EU4 EU4](https://data.pdbj.org/pdbjplus/data/cc/svg/EU4.svg) | EU4 | Name: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C26 H19 F3 N6 | SMILES: | c34c(C#Cc2c1c(ncnc1N)n(C(C)C)n2)cccc3cc(nc4)c5cc(ccc5)C(F)(F)F | InChi: | InChI=1S/C26H19F3N6/c1-15(2)35-25-23(24(30)32-14-33-25)21(34-35)10-9-16-5-3-6-17-12-22(31-13-20(16)17)18-7-4-8-19(11-18)26(27,28)29/h3-8,11-15H,1-2H3,(H2,30,32,33) | Definition date: | 2018-01-31 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![B0I B0I](https://data.pdbj.org/pdbjplus/data/cc/svg/B0I.svg) | B0I | Name: | 3,3'-dimethyl-1,1'-biphenyl | Formula: | C14 H14 | SMILES: | Cc2cc(c1cc(C)ccc1)ccc2 | InChi: | InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3 | Definition date: | 2017-08-15 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 3,3'-dimethyl-1,1'-biphenyl |
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![WGX WGX](https://data.pdbj.org/pdbjplus/data/cc/svg/WGX.svg) | WGX | Name: | ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Formula: | C25 H30 N4 O4 S | SMILES: | CN1C(=O)C(=O)N(C)c2cc(N3CCCCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12 | InChi: | InChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3 | Definition date: | 2017-01-18 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
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![UWX UWX](https://data.pdbj.org/pdbjplus/data/cc/svg/UWX.svg) | UWX | Name: | ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | Formula: | C24 H30 N4 O5 S | SMILES: | CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCOCC4 | InChi: | InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3 | Definition date: | 2017-01-18 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide |
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![9NT 9NT](https://data.pdbj.org/pdbjplus/data/cc/svg/9NT.svg) | 9NT | Name: | ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide | Formula: | C14 H19 N2 O3 | SMILES: | O=C(C[NH+]1CCCCC1)Nc2ccc3OCOc3c2 | InChi: | InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)/p+1 | Definition date: | 2017-06-13 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide |
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![9QQ 9QQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9QQ.svg) | 9QQ | Name: | 6-hydroxybenzimidazolyl-norcobamide | Formula: | C59 H83 Co N13 O15 P | SMILES: | CC1=C2[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[CH]4[CH](CC(N)=O)[C](C)(CCC(=O)NCCO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO)n6cnc7ccc(O)cc67)C8=[N+]4[Co]9([N]23)[N+]%10=C1[C](C)(CC(N)=O)[CH](CCC(N)=O)C%10=CC%11=[N+]9C(=C8C)[CH](CCC(N)=O)C%11(C)C | InChi: | InChI=1S/C59H84N13O15P.Co/c1-28-47-32(11-15-41(61)76)55(3,4)39(69-47)23-36-31(10-14-40(60)75)57(6,24-44(64)79)52(68-36)29(2)48-33(12-16-42(62)77)58(7,25-45(65)80)59(8,71-48)53-34(22-43(63)78)56(5,51(28)70-53)18-17-46(81)66-19-20-85-88(83,84)87-50-38(26-73)86-54(49(50)82)72-27-67-35-13-9-30(74)21-37(35)72 | Definition date: | 2017-06-29 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 |
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![9VT 9VT](https://data.pdbj.org/pdbjplus/data/cc/svg/9VT.svg) | 9VT | Name: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine | Formula: | C10 H15 N5 S | SMILES: | CCNc1sc(Cn2nc(C)cc2C)nn1 | InChi: | InChI=1S/C10H15N5S/c1-4-11-10-13-12-9(16-10)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine |
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![9VW 9VW](https://data.pdbj.org/pdbjplus/data/cc/svg/9VW.svg) | 9VW | Name: | 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea | Formula: | C13 H19 N3 O | SMILES: | O=C(NCc1cccnc1)NC2CCCCC2 | InChi: | InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea |
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![9VZ 9VZ](https://data.pdbj.org/pdbjplus/data/cc/svg/9VZ.svg) | 9VZ | Name: | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate | Formula: | C11 H15 N O2 S | SMILES: | CCOC(=O)[CH]1CCc2nc(C)sc2C1 | InChi: | InChI=1S/C11H15NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h8H,3-6H2,1-2H3/t8-/m1/s1 | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate |
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![9W8 9W8](https://data.pdbj.org/pdbjplus/data/cc/svg/9W8.svg) | 9W8 | Name: | 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one | Formula: | C16 H20 N4 O | SMILES: | CC1=CC(=O)C(=C(C)N1)C2CCN(CC2)c3ncccn3 | InChi: | InChI=1S/C16H20N4O/c1-11-10-14(21)15(12(2)19-11)13-4-8-20(9-5-13)16-17-6-3-7-18-16/h3,6-7,10,13H,4-5,8-9H2,1-2H3,(H,19,21) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one |
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![9WB 9WB](https://data.pdbj.org/pdbjplus/data/cc/svg/9WB.svg) | 9WB | Name: | 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one | Formula: | C13 H13 N O | SMILES: | CC1=CC(=O)C(=C(C)N1)c2ccccc2 | InChi: | InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one |
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![9WE 9WE](https://data.pdbj.org/pdbjplus/data/cc/svg/9WE.svg) | 9WE | Name: | 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea | Formula: | C16 H20 N6 O | SMILES: | O=C(NCc1cccnc1)NC2CCN(CC2)c3ncccn3 | InChi: | InChI=1S/C16H20N6O/c23-16(20-12-13-3-1-6-17-11-13)21-14-4-9-22(10-5-14)15-18-7-2-8-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,20,21,23) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea |
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![9WK 9WK](https://data.pdbj.org/pdbjplus/data/cc/svg/9WK.svg) | 9WK | Name: | 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide | Formula: | C19 H18 Cl F N4 O | SMILES: | Cc1cc(N)n(Cc2ccc(cc2)C(=O)NCc3ccc(F)cc3Cl)n1 | InChi: | InChI=1S/C19H18ClFN4O/c1-12-8-18(22)25(24-12)11-13-2-4-14(5-3-13)19(26)23-10-15-6-7-16(21)9-17(15)20/h2-9H,10-11,22H2,1H3,(H,23,26) | Definition date: | 2017-07-19 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide |
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![CJJ CJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/CJJ.svg) | CJJ | Name: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide | Formula: | C14 H13 Cl N6 O2 S2 | SMILES: | c4(c3ncc(c(Nc1cc(nn1)C2CC2)n3)Cl)ccc(s4)S(=O)(=O)N | InChi: | InChI=1S/C14H13ClN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21) | Definition date: | 2017-09-26 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide |
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![BKY BKY](https://data.pdbj.org/pdbjplus/data/cc/svg/BKY.svg) | BKY | Name: | 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid | Formula: | C24 H16 O5 | SMILES: | c1(ccc(cc1)COc2c(cccc2)C=C4/C(c3c(cccc3)C4=O)=O)C(O)=O | InChi: | InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28) | Definition date: | 2017-08-14 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid |
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![KGU KGU](https://data.pdbj.org/pdbjplus/data/cc/svg/KGU.svg) | KGU | Name: | ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide | Formula: | C24 H36 N6 O3 | SMILES: | CCN1C(=O)C(=O)N(CC)c2cc(N3CCCCC3)c(NC(=O)CN4CCN(C)CC4)cc12 | InChi: | InChI=1S/C24H36N6O3/c1-4-29-20-15-18(25-22(31)17-27-13-11-26(3)12-14-27)19(28-9-7-6-8-10-28)16-21(20)30(5-2)24(33)23(29)32/h15-16H,4-14,17H2,1-3H3,(H,25,31) | Definition date: | 2017-01-20 | Last modified: | 2018-02-09 | Release date: | 2018-02-14 | Identifier: | ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide |
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