![8CP 8CP](https://data.pdbj.org/pdbjplus/data/cc/svg/8CP.svg) | 8CP | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine | Formula: | C9 H17 N4 O12 P3 | SMILES: | N1(C=CC(=NC1=O)N)C2OC(C(C2)O)COP(=O)(O)OP(O)(NP(=O)(O)O)=O | InChi: | InChI=1S/C9H17N4O12P3/c10-7-1-2-13(9(15)11-7)8-3-5(14)6(24-8)4-23-28(21,22)25-27(19,20)12-26(16,17)18/h1-2,5-6,8,14H,3-4H2,(H,21,22)(H2,10,11,15)(H4,12,16,17,18,19,20)/t5-,6+,8+/m0/s1 | Definition date: | 2017-01-19 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine |
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![8JN 8JN](https://data.pdbj.org/pdbjplus/data/cc/svg/8JN.svg) | 8JN | Name: | 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione | Formula: | C21 H28 N4 O3 | SMILES: | CCCCN1C(=O)N(C=CCO)c2nc([nH]c2C1=O)C34C[CH]5C[CH](CC3C5)C4 | InChi: | InChI=1S/C21H28N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h4,6,13-15,26H,2-3,5,7-12H2,1H3,(H,22,23)/b6-4+/t13-,14+,15-,21- | Definition date: | 2017-02-08 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione |
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![8K8 8K8](https://data.pdbj.org/pdbjplus/data/cc/svg/8K8.svg) | 8K8 | Name: | 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione | Formula: | C21 H30 N4 O3 | SMILES: | CCCCN1C(=O)N(CCCO)c2nc([nH]c2C1=O)C34C[CH]5C[CH](CC3C5)C4 | InChi: | InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)/t13-,14+,15-,21- | Definition date: | 2017-02-09 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione |
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![93M 93M](https://data.pdbj.org/pdbjplus/data/cc/svg/93M.svg) | 93M | Name: | (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) | Formula: | C39 H59 N10 O21 P3 S | SMILES: | O=C(NCC(NC(CCCCNC(=O)CSCCNC(CCNC(=O)C(O)C(COP(OP(OCC3C(OP(O)(O)=O)C(C(n1cnc2c(N)ncnc12)O3)O)(O)=O)(O)=O)(C)C)=O)C(=O)O)=O)Cc4ccccc4 | InChi: | InChI=1S/C39H59N10O21P3S/c1-39(2,20-67-73(64,65)70-72(62,63)66-18-25-32(69-71(59,60)61)31(54)37(68-25)49-22-47-30-34(40)45-21-46-35(30)49)33(55)36(56)43-13-11-26(50)42-14-15-74-19-29(53)41-12-7-6-10-24(38(57)58)48-28(52)17-44-27(51)16-23-8-4-3-5-9-23/h3-5,8-9,21-22,24-25,31-33,37,54-55H,6-7,10-20H2,1-2H3,(H,41,53)(H,42,50)(H,43,56)(H,44,51)(H,48,52)(H,57,58)(H,62,63)(H,64,65)(H2,40,45,46)(H2,59,60,61)/t24-,25+,31+,32+,33-,37+/m0/s1 | Definition date: | 2017-04-03 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) |
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![93P 93P](https://data.pdbj.org/pdbjplus/data/cc/svg/93P.svg) | 93P | Name: | (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name) | Formula: | C37 H56 N9 O20 P3 S | SMILES: | c1cccc(c1)CC(=O)NCC(NC(CCCCSCCNC(=O)CCNC(C(O)C(C)(C)COP(O)(OP(O)(=O)OCC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)OP(O)(O)=O)=O)=O)C(=O)O)=O | InChi: | InChI=1S/C37H56N9O20P3S/c1-37(2,19-63-69(60,61)66-68(58,59)62-18-24-30(65-67(55,56)57)29(50)35(64-24)46-21-44-28-32(38)42-20-43-33(28)46)31(51)34(52)40-12-11-25(47)39-13-15-70-14-7-6-10-23(36(53)54)45-27(49)17-41-26(48)16-22-8-4-3-5-9-22/h3-5,8-9,20-21,23-24,29-31,35,50-51H,6-7,10-19H2,1-2H3,(H,39,47)(H,40,52)(H,41,48)(H,45,49)(H,53,54)(H,58,59)(H,60,61)(H2,38,42,43)(H2,55,56,57)/t23-,24+,29+,30+,31-,35+/m0/s1 | Definition date: | 2017-04-03 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name) |
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![9A4 9A4](https://data.pdbj.org/pdbjplus/data/cc/svg/9A4.svg) | 9A4 | Name: | (2Z)-but-2-en-1-ol | Formula: | C4 H8 O | SMILES: | OC[C@H]=CC | InChi: | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2- | Definition date: | 2017-04-12 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (2Z)-but-2-en-1-ol |
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![9A7 9A7](https://data.pdbj.org/pdbjplus/data/cc/svg/9A7.svg) | 9A7 | Name: | (2E)-but-2-en-1-ol | Formula: | C4 H8 O | SMILES: | OC[C@H]=[C@H]C | InChi: | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ | Definition date: | 2017-04-12 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (2E)-but-2-en-1-ol |
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![6TH 6TH](https://data.pdbj.org/pdbjplus/data/cc/svg/6TH.svg) | 6TH | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide | Formula: | C22 H32 Cl N3 O3 | SMILES: | N[CH](CC1CCCCC1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3CO | InChi: | InChI=1S/C22H32ClN3O3/c23-18-9-8-16(14-27)17(12-18)13-25-21(28)20-7-4-10-26(20)22(29)19(24)11-15-5-2-1-3-6-15/h8-9,12,15,19-20,27H,1-7,10-11,13-14,24H2,(H,25,28)/t19-,20+/m1/s1 | Definition date: | 2016-06-21 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide |
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![6XZ 6XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6XZ.svg) | 6XZ | Name: | 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one | Formula: | C21 H22 N2 O5 | SMILES: | COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34 | InChi: | InChI=1S/C21H22N2O5/c1-27-16-4-2-15(3-5-16)23-10-8-22(9-11-23)13-14-12-19(25)28-21-17(14)6-7-18(24)20(21)26/h2-7,12,24,26H,8-11,13H2,1H3 | Definition date: | 2016-07-22 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one |
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![6Y0 6Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y0.svg) | 6Y0 | Name: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one | Formula: | C13 H14 O4 | SMILES: | CCCCC1=CC(=O)Oc2c(O)c(O)ccc12 | InChi: | InChI=1S/C13H14O4/c1-2-3-4-8-7-11(15)17-13-9(8)5-6-10(14)12(13)16/h5-7,14,16H,2-4H2,1H3 | Definition date: | 2016-07-22 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one |
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![71U 71U](https://data.pdbj.org/pdbjplus/data/cc/svg/71U.svg) | 71U | Name: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide | Formula: | C22 H33 Cl N4 O2 | SMILES: | NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](N)CC3CCCCC3 | InChi: | InChI=1S/C22H33ClN4O2/c23-18-9-8-16(13-24)17(12-18)14-26-21(28)20-7-4-10-27(20)22(29)19(25)11-15-5-2-1-3-6-15/h8-9,12,15,19-20H,1-7,10-11,13-14,24-25H2,(H,26,28)/t19-,20+/m1/s1 | Definition date: | 2016-08-13 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide |
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![9HE 9HE](https://data.pdbj.org/pdbjplus/data/cc/svg/9HE.svg) | 9HE | Name: | 1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C17 H17 N7 | SMILES: | Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5 | InChi: | InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22) | Definition date: | 2017-05-19 | Last modified: | 2017-07-19 | Release date: | 2017-06-28 | Identifier: | 1-cyclopentyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
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![YTA YTA](https://data.pdbj.org/pdbjplus/data/cc/svg/YTA.svg) | YTA | Name: | yatakemycin-adenine nucleobase adduct | Formula: | C40 H34 N10 O8 S | SMILES: | N9=CN(CC7CN(C(c1nc2cc(OC)c(cc2c1)O)=O)c6cc(O)c8nc(C(=O)N3c5c(CC3)c4cc(nc4c(c5O)OC)C(=O)SC)cc8c67)C=%10C(=C9N)N=CN=%10 | InChi: | InChI=1S/C40H34N10O8S/c1-57-28-10-21-16(7-26(28)51)6-22(45-21)39(55)50-13-17(12-48-15-44-36(41)32-37(48)43-14-42-32)29-20-9-23(46-30(20)27(52)11-25(29)50)38(54)49-5-4-18-19-8-24(40(56)59-3)47-31(19)35(58-2)34(53)33(18)49/h6-11,14-15,17,45-47,51-53H,4-5,12-13,41H2,1-3H3/t17-/m1/s1 | Definition date: | 2017-02-20 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | S-methyl 6-[(8R)-8-[(6-amino-3H-purin-3-yl)methyl]-4-hydroxy-6-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl]-5-hydroxy-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate |
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![7GE 7GE](https://data.pdbj.org/pdbjplus/data/cc/svg/7GE.svg) | 7GE | Name: | pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-) | Formula: | C7 H6 Cl5 N2 Ru | SMILES: | Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1 | InChi: | InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7 | Definition date: | 2016-10-12 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-) |
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![9KH 9KH](https://data.pdbj.org/pdbjplus/data/cc/svg/9KH.svg) | 9KH | Name: | 6-carboxy methyl-4-hydroxy-2-pyridinol | Formula: | C8 H9 N O4 | SMILES: | Cc1c(O)cc(O)nc1CC(O)=O | InChi: | InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11) | Definition date: | 2017-05-30 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 2-[3-methyl-4,6-bis(oxidanyl)pyridin-2-yl]ethanoic acid |
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![NV1 NV1](https://data.pdbj.org/pdbjplus/data/cc/svg/NV1.svg) | NV1 | Name: | 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide | Formula: | C13 H20 N2 O | SMILES: | CC(C)N(C(=O)CN)c1c(C)cccc1C | InChi: | InChI=1S/C13H20N2O/c1-9(2)15(12(16)8-14)13-10(3)6-5-7-11(13)4/h5-7,9H,8,14H2,1-4H3 | Definition date: | 2017-02-15 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide |
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![9XJ 9XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9XJ.svg) | 9XJ | Name: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C17 H19 Cl N6 O | SMILES: | C1C(CCNC1)Cn2nc(c3c2ncnc3N)Oc4cccc(c4)Cl | InChi: | InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22) | Definition date: | 2017-06-22 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![9XV 9XV](https://data.pdbj.org/pdbjplus/data/cc/svg/9XV.svg) | 9XV | Name: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C16 H18 Cl N5 | SMILES: | c1(ncnc2c1c(nn2C(C)(C)C)Cc3cc(Cl)ccc3)N | InChi: | InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20) | Definition date: | 2017-06-23 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![9ZY 9ZY](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZY.svg) | 9ZY | Name: | 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid | Formula: | C20 H13 Cl N2 O4 | SMILES: | O=C(c4cc(n3c1OC(C=C(c1c(c2ccccc2)n3)C)=O)ccc4Cl)O | InChi: | InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26) | Definition date: | 2017-06-30 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid |
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![PJL PJL](https://data.pdbj.org/pdbjplus/data/cc/svg/PJL.svg) | PJL | Name: | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid | Formula: | C6 H7 N O4 | SMILES: | OC=CC(=O)N=CCC(O)=O | InChi: | InChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+ | Definition date: | 2017-05-30 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid |
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![Q9P Q9P](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9P.svg) | Q9P | Name: | Azolopyrimidine | Formula: | C12 H9 Cl N4 O | SMILES: | Oc1n2ncnc2nc(Cl)c1Cc3ccccc3 | InChi: | InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2 | Definition date: | 2016-12-24 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 5-chloranyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol |
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![Q9T Q9T](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9T.svg) | Q9T | Name: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol | Formula: | C10 H4 Br2 F3 N O2 | SMILES: | Oc1c(Br)cc(Br)cc1c2onc(c2)C(F)(F)F | InChi: | InChI=1S/C10H4Br2F3NO2/c11-4-1-5(9(17)6(12)2-4)7-3-8(16-18-7)10(13,14)15/h1-3,17H | Definition date: | 2016-12-25 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol |
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![8OB 8OB](https://data.pdbj.org/pdbjplus/data/cc/svg/8OB.svg) | 8OB | Name: | 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol | Formula: | C11 H7 Cl2 N O2 | SMILES: | Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 | InChi: | InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H | Definition date: | 2017-02-14 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol |
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![8OE 8OE](https://data.pdbj.org/pdbjplus/data/cc/svg/8OE.svg) | 8OE | Name: | 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline | Formula: | C11 H8 Cl2 N2 O | SMILES: | Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 | InChi: | InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2 | Definition date: | 2017-02-14 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline |
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![8XT 8XT](https://data.pdbj.org/pdbjplus/data/cc/svg/8XT.svg) | 8XT | Name: | ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide | Formula: | C15 H20 N4 O2 | SMILES: | CCNC(=O)c1[nH]c2nccc(N3CCOC[CH]3C)c2c1 | InChi: | InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1 | Definition date: | 2017-03-22 | Last modified: | 2017-07-14 | Release date: | 2017-07-19 | Identifier: | ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
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