![KIT KIT](https://data.pdbj.org/pdbjplus/data/cc/svg/KIT.svg) | KIT | Name: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione | Formula: | C28 H33 N13 O8 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O | InChi: | InChI=1S/C28H33N13O8/c29-23-17-25(35-9-33-23)40(11-37-17)27-21(46)20(45)13(49-27)7-39-5-1-2-14-38-18-24(30)34-10-36-26(18)41(14)28-22(47)19(44)12(48-28)6-32-15(42)3-4-31-16(43)8-39/h9-13,19-22,27-28,44-47H,3-8H2,(H,31,43)(H,32,42)(H2,29,33,35)(H2,30,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1 | Definition date: | 2022-05-25 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione |
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![KQO KQO](https://data.pdbj.org/pdbjplus/data/cc/svg/KQO.svg) | KQO | Name: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide | Formula: | C25 H28 F N5 O3 | SMILES: | COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH](F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4 | InChi: | InChI=1S/C25H28FN5O3/c1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19/h5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32)/t17-,21-/m1/s1 | Definition date: | 2022-10-06 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide |
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![LAW LAW](https://data.pdbj.org/pdbjplus/data/cc/svg/LAW.svg) | LAW | Name: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide | Formula: | C25 H32 N12 O9 S | SMILES: | NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | InChi: | InChI=1S/C25H32N12O9S/c26-3-5-47(42,43)34-6-11-16(38)19(41)25(45-11)37-13(35-15-21(28)30-9-32-23(15)37)2-1-4-44-7-12-17(39)18(40)24(46-12)36-10-33-14-20(27)29-8-31-22(14)36/h8-12,16-19,24-25,34,38-41H,3-7,26H2,(H2,27,29,31)(H2,28,30,32)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | Definition date: | 2022-06-29 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide |
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![LDI LDI](https://data.pdbj.org/pdbjplus/data/cc/svg/LDI.svg) | LDI | Name: | 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide | Formula: | C15 H23 N3 O2 | SMILES: | ONC(=O)C1CCN(CCNCc2ccccc2)CC1 | InChi: | InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19) | Definition date: | 2022-03-02 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide |
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![OA9 OA9](https://data.pdbj.org/pdbjplus/data/cc/svg/OA9.svg) | OA9 | Name: | Mesaconyl Coenzme A | Formula: | C26 H40 N7 O19 P3 S | SMILES: | CC(=CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20+,24-/m1/s1 | Synonyms: | (~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid | Definition date: | 2022-09-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid |
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![OWU OWU](https://data.pdbj.org/pdbjplus/data/cc/svg/OWU.svg) | OWU | Name: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one | Formula: | C27 H33 N13 O9 S | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CN[S](=O)(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O | InChi: | InChI=1S/C27H33N13O9S/c28-22-16-24(33-9-31-22)39(11-35-16)26-20(44)19(43)13(49-26)7-38-4-1-2-14-37-17-23(29)32-10-34-25(17)40(14)27-21(45)18(42)12(48-27)6-36-50(46,47)5-3-30-15(41)8-38/h9-13,18-21,26-27,36,42-45H,3-8H2,(H,30,41)(H2,28,31,33)(H2,29,32,34)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1 | Definition date: | 2022-09-27 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one |
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![OX0 OX0](https://data.pdbj.org/pdbjplus/data/cc/svg/OX0.svg) | OX0 | Name: | (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one | Formula: | C25 H23 Cl N4 O | SMILES: | Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#C)c3)CC=2C1=O | InChi: | InChI=1S/C25H23ClN4O/c1-2-18-4-3-5-20(14-18)15-28-12-10-23-22(17-28)24(31)30(25-27-11-13-29(23)25)16-19-6-8-21(26)9-7-19/h1,3-9,14H,10-13,15-17H2 | Definition date: | 2022-05-18 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one |
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![PJF PJF](https://data.pdbj.org/pdbjplus/data/cc/svg/PJF.svg) | PJF | Name: | 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile | Formula: | C24 H22 Cl N5 O | SMILES: | Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)c3)CC=2C1=O | InChi: | InChI=1S/C24H22ClN5O/c25-20-6-4-17(5-7-20)15-30-23(31)21-16-28(14-19-3-1-2-18(12-19)13-26)10-8-22(21)29-11-9-27-24(29)30/h1-7,12H,8-11,14-16H2 | Definition date: | 2022-05-26 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile |
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![Q8C Q8C](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8C.svg) | Q8C | Name: | N-benzyladenosine | Formula: | C17 H19 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-benzyladenosine |
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![Q8L Q8L](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8L.svg) | Q8L | Name: | Piclidenoson | Formula: | C18 H19 I N6 O4 | SMILES: | Ic1cccc(c1)CNc1ncnc2c1ncn2C1OC(C(O)C1O)C(=O)NC | InChi: | InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide (non-preferred name) |
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![Q8R Q8R](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8R.svg) | Q8R | Name: | N-(2-phenylethyl)adenosine | Formula: | C18 H21 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-(2-phenylethyl)adenosine |
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![Q8Y Q8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8Y.svg) | Q8Y | Name: | N-(3-phenylpropyl)adenosine | Formula: | C19 H23 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-(3-phenylpropyl)adenosine |
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![Q9W Q9W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9W.svg) | Q9W | Name: | N-(4-phenylbutyl)adenosine | Formula: | C20 H25 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCCCCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1 | Definition date: | 2022-06-03 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-(4-phenylbutyl)adenosine |
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![QA2 QA2](https://data.pdbj.org/pdbjplus/data/cc/svg/QA2.svg) | QA2 | Name: | N-[2-(4-aminophenyl)ethyl]adenosine | Formula: | C18 H22 N6 O4 | SMILES: | Nc1ccc(cc1)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O | InChi: | InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1 | Definition date: | 2022-06-03 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-[2-(4-aminophenyl)ethyl]adenosine |
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![QA6 QA6](https://data.pdbj.org/pdbjplus/data/cc/svg/QA6.svg) | QA6 | Name: | N-[3-(4-hydroxyphenyl)propyl]adenosine | Formula: | C19 H23 N5 O5 | SMILES: | Oc1ccc(cc1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O | InChi: | InChI=1S/C19H23N5O5/c25-8-13-15(27)16(28)19(29-13)24-10-23-14-17(21-9-22-18(14)24)20-7-1-2-11-3-5-12(26)6-4-11/h3-6,9-10,13,15-16,19,25-28H,1-2,7-8H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1 | Definition date: | 2022-06-03 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-[3-(4-hydroxyphenyl)propyl]adenosine |
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![QBU QBU](https://data.pdbj.org/pdbjplus/data/cc/svg/QBU.svg) | QBU | Name: | N-(5-phenylpentyl)adenosine | Formula: | C21 H27 N5 O4 | SMILES: | OCC1OC(n2cnc3c(NCCCCCc4ccccc4)ncnc32)C(O)C1O | InChi: | InChI=1S/C21H27N5O4/c27-11-15-17(28)18(29)21(30-15)26-13-25-16-19(23-12-24-20(16)26)22-10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15,17-18,21,27-29H,2,5-6,9-11H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1 | Definition date: | 2022-06-06 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-(5-phenylpentyl)adenosine |
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![R5K R5K](https://data.pdbj.org/pdbjplus/data/cc/svg/R5K.svg) | R5K | Name: | N~1~-{(3R)-1-[2-(5-carbamimidamidopentanamido)ethyl]-1-azaspiro[5.5]undecan-3-yl}-N~2~-(4-chlorophenyl)ethanediamide | Formula: | C26 H40 Cl N7 O3 | SMILES: | Clc1ccc(cc1)NC(=O)C(=O)NC1CCC2(CCCCC2)N(C1)CCNC(=O)CCCCNC(=N)N | InChi: | InChI=1S/C26H40ClN7O3/c27-19-7-9-20(10-8-19)32-23(36)24(37)33-21-11-14-26(12-3-1-4-13-26)34(18-21)17-16-30-22(35)6-2-5-15-31-25(28)29/h7-10,21H,1-6,11-18H2,(H,30,35)(H,32,36)(H,33,37)(H4,28,29,31)/t21-/m1/s1 | Definition date: | 2022-06-20 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N~1~-{(3R)-1-[2-(5-carbamimidamidopentanamido)ethyl]-1-azaspiro[5.5]undecan-3-yl}-N~2~-(4-chlorophenyl)ethanediamide |
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![OY9 OY9](https://data.pdbj.org/pdbjplus/data/cc/svg/OY9.svg) | OY9 | Name: | 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile | Formula: | C22 H19 Cl N4 O | SMILES: | Clc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O | InChi: | InChI=1S/C22H19ClN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2 | Definition date: | 2022-05-19 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile |
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![P3O P3O](https://data.pdbj.org/pdbjplus/data/cc/svg/P3O.svg) | P3O | Name: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile | Formula: | C23 H21 Cl N4 O2 | SMILES: | Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)Cc1cccc(C#N)c1 | InChi: | InChI=1S/C23H21ClN4O2/c1-26-21-9-10-27(13-18-4-2-3-17(11-18)12-25)15-20(21)22(29)28(23(26)30)14-16-5-7-19(24)8-6-16/h2-8,11H,9-10,13-15H2,1H3 | Definition date: | 2022-05-24 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile |
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![P4I P4I](https://data.pdbj.org/pdbjplus/data/cc/svg/P4I.svg) | P4I | Name: | 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile | Formula: | C22 H19 Br N4 O | SMILES: | Brc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O | InChi: | InChI=1S/C22H19BrN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2 | Definition date: | 2022-05-24 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile |
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![S9C S9C](https://data.pdbj.org/pdbjplus/data/cc/svg/S9C.svg) | S9C | Name: | 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole | Formula: | C16 H10 F N3 | SMILES: | Fc1ccc(cn1)c2ccc3c([nH]c4ccncc34)c2 | InChi: | InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H | Definition date: | 2022-12-14 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole |
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![SGU SGU](https://data.pdbj.org/pdbjplus/data/cc/svg/SGU.svg) | SGU | Name: | (5S)-5-methyloxolane-2,2-diol | Formula: | C5 H10 O3 | SMILES: | CC1CCC(O)(O)O1 | InChi: | InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1 | Definition date: | 2022-07-01 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (5S)-5-methyloxolane-2,2-diol |
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![SJ3 SJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/SJ3.svg) | SJ3 | Name: | (4R)-4-hydroxypentanoic acid | Formula: | C5 H10 O3 | SMILES: | O=C(O)CCC(C)O | InChi: | InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 | Definition date: | 2022-07-05 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | (4R)-4-hydroxypentanoic acid |
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![SJI SJI](https://data.pdbj.org/pdbjplus/data/cc/svg/SJI.svg) | SJI | Name: | N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide | Formula: | C24 H36 N4 O2 | SMILES: | CCNC(=O)c1cc2nc(C)n(C3CCN(CC4(O)CCCCC4)CC3C)c2cc1 | InChi: | InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-22-20(14-19)26-18(3)28(22)21-10-13-27(15-17(21)2)16-24(30)11-6-5-7-12-24/h8-9,14,17,21,30H,4-7,10-13,15-16H2,1-3H3,(H,25,29)/t17-,21-/m0/s1 | Definition date: | 2022-07-06 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide |
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![T83 T83](https://data.pdbj.org/pdbjplus/data/cc/svg/T83.svg) | T83 | Name: | 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one | Formula: | C10 H8 O4 | SMILES: | COc1cc2C=CC(=O)Oc2cc1O | InChi: | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 | Definition date: | 2022-07-20 | Last modified: | 2023-01-06 | Release date: | 2023-01-11 | Identifier: | 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one |
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