![OTQ OTQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OTQ.svg) | OTQ | Name: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one | Formula: | C14 H13 N3 O4 S | SMILES: | [O-][N+](=O)c1oc(cc1)[CH]2NC(=O)c3c(N2)sc4CCCCc34 | InChi: | InChI=1S/C14H14N3O4S/c18-13-11-7-3-1-2-4-9(7)22-14(11)16-12(15-13)8-5-6-10(21-8)17(19)20/h5-6,12,16,19H,1-4H2,(H,15,18)/t12-/m0/s1 | Definition date: | 2020-04-04 | Last modified: | 2022-05-02 | Release date: | 2021-04-14 | Identifier: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one |
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![Y48 Y48](https://data.pdbj.org/pdbjplus/data/cc/svg/Y48.svg) | Y48 | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid | Formula: | C21 H28 F3 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCc1cc(F)c(F)cc1F)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H28F3N3O8S/c1-10(2)5-16(27-21(31)35-9-12-6-14(23)15(24)8-13(12)22)19(29)26-17(20(30)36(32,33)34)7-11-3-4-25-18(11)28/h6,8,10-11,16-17,20,30H,3-5,7,9H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t11-,16-,17-,20-/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
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![WTS WTS](https://data.pdbj.org/pdbjplus/data/cc/svg/WTS.svg) | WTS | Name: | Phorbol 12,13-dibutyrate | Formula: | C28 H40 O8 | SMILES: | CC4=CC1C(CC(CO)=CC2C1(O)C(C(C3(C2C3(C)C)OC(=O)CCC)OC(CCC)=O)C)(C4=O)O | InChi: | InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1 | Synonyms: | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate | Definition date: | 2020-11-11 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate |
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![S4L S4L](https://data.pdbj.org/pdbjplus/data/cc/svg/S4L.svg) | S4L | Name: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H35 N3 O8 S | SMILES: | O=C(OCc1ccccc1)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19-,20-,23-/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![WUD WUD](https://data.pdbj.org/pdbjplus/data/cc/svg/WUD.svg) | WUD | Name: | ingenol-3-angelate | Formula: | C25 H34 O6 | SMILES: | C[C@H]=C(C(=O)OC3C4(C(O)C(CO)=CC1C(C4(C(CC2C1C2(C)C)C)C=C3C)=O)O)C | InChi: | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 | Synonyms: | ingenol mebutate | Definition date: | 2020-11-15 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z)-2-methylbut-2-enoate |
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![ZHY ZHY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZHY.svg) | ZHY | Name: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide | Formula: | C20 H20 N4 O4 | SMILES: | NC(=O)c1ccc(cc1)c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1 | InChi: | InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24) | Definition date: | 2021-04-29 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide |
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![V46 V46](https://data.pdbj.org/pdbjplus/data/cc/svg/V46.svg) | V46 | Name: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H30 Cl N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H30ClN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![XYV XYV](https://data.pdbj.org/pdbjplus/data/cc/svg/XYV.svg) | XYV | Name: | prostratin | Formula: | C22 H30 O6 | SMILES: | C12(C4C(CC(CO)=CC1C3C(CC2C)(C3(C)C)OC(=O)C)(C(C(=C4)C)=O)O)O | InChi: | InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1 | Synonyms: | 12-deoxyphorbol-13-acetate | Definition date: | 2021-01-20 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate |
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![V5T V5T](https://data.pdbj.org/pdbjplus/data/cc/svg/V5T.svg) | V5T | Name: | 4-(1~{H}-indol-3-yl)pyrimidin-2-amine | Formula: | C12 H10 N4 | SMILES: | Nc1nccc(n1)c2c[nH]c3ccccc23 | InChi: | InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16) | Definition date: | 2021-04-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 4-(1~{H}-indol-3-yl)pyrimidin-2-amine |
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![XZJ XZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XZJ.svg) | XZJ | Name: | {(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate | Formula: | C22 H38 O5 | SMILES: | CC(C)CC(CC(C)C)C[C@H]=C1C(=O)OC(C1)(CO)COC(C(C)(C)C)=O | InChi: | InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+/t22-/m1/s1 | Synonyms: | AJH-836 | Definition date: | 2021-01-22 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | {(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate |
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![V7E V7E](https://data.pdbj.org/pdbjplus/data/cc/svg/V7E.svg) | V7E | Name: | 3',3'-c-di-araAMP | Formula: | C20 H24 N10 O12 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11+,12+,13-,14-,19-,20-/m1/s1 | Synonyms: | (1S,6R,8R,9S,10S,15R,17R,18S)-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-9,18-diol | Definition date: | 2021-04-22 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1~{S},6~{R},8~{R},9~{S},10~{S},15~{R},17~{R},18~{S})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-9,18-diol |
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![V88 V88](https://data.pdbj.org/pdbjplus/data/cc/svg/V88.svg) | V88 | Name: | 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine | Formula: | C32 H47 N7 O2 | SMILES: | COc1cc2c(NC3CCN(CC3)C(C)C)nc(NCCN(C)C)nc2cc1OCCCN4Cc5ccccc5C4 | InChi: | InChI=1S/C32H47N7O2/c1-23(2)39-15-11-26(12-16-39)34-31-27-19-29(40-5)30(20-28(27)35-32(36-31)33-13-17-37(3)4)41-18-8-14-38-21-24-9-6-7-10-25(24)22-38/h6-7,9-10,19-20,23,26H,8,11-18,21-22H2,1-5H3,(H2,33,34,35,36) | Definition date: | 2021-04-26 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-~{N}2-[2-(dimethylamino)ethyl]-6-methoxy-~{N}4-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine |
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![W48 W48](https://data.pdbj.org/pdbjplus/data/cc/svg/W48.svg) | W48 | Name: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid | Formula: | C24 H32 Cl N3 O8 S | SMILES: | O=C1NC=CC1CC(NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H32ClN3O8S/c25-18-8-4-7-16(11-18)14-36-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)37(33,34)35)13-17-9-10-26-21(17)29/h4,7-11,15,17,19-20,23,31H,1-3,5-6,12-14H2,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t17-,19-,20-,23-/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
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![GII GII](https://data.pdbj.org/pdbjplus/data/cc/svg/GII.svg) | GII | Name: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol | Formula: | C18 H28 N6 O6 | SMILES: | [O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO | InChi: | InChI=1S/C18H28N6O6/c19-22-21-12-5-6-13(14(9-12)24(29)30)20-7-3-1-2-4-8-23-10-16(26)18(28)17(27)15(23)11-25/h5-6,9,15-18,20,25-28H,1-4,7-8,10-11H2/t15-,16+,17-,18-/m1/s1 | Definition date: | 2021-12-24 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
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![J7F J7F](https://data.pdbj.org/pdbjplus/data/cc/svg/J7F.svg) | J7F | Name: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide | Formula: | C18 H21 N O3 | SMILES: | CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(O)cc2 | InChi: | InChI=1S/C18H21NO3/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)19-13-8-10-14(20)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21) | Definition date: | 2021-04-20 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide |
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![1II 1II](https://data.pdbj.org/pdbjplus/data/cc/svg/1II.svg) | 1II | Name: | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one | Formula: | C28 H29 F2 N3 O | SMILES: | Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5 | InChi: | InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | Definition date: | 2022-01-23 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one |
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![8Z9 8Z9](https://data.pdbj.org/pdbjplus/data/cc/svg/8Z9.svg) | 8Z9 | Name: | Sapienic acid | Formula: | C16 H30 O2 | SMILES: | O=C(O)CCCCC=C/CCCCCCCCC | InChi: | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10- | Definition date: | 2021-10-04 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (6Z)-hexadec-6-enoic acid |
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![I3B I3B](https://data.pdbj.org/pdbjplus/data/cc/svg/I3B.svg) | I3B | Name: | 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid | Formula: | C13 H21 N2 O7 P | SMILES: | Oc1c(CNCCCCC(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21) | Definition date: | 2022-01-07 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid |
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![I54 I54](https://data.pdbj.org/pdbjplus/data/cc/svg/I54.svg) | I54 | Name: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H30 Cl N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCc1ccccc1Cl)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H30ClN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,12-13,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20?/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![L0X L0X](https://data.pdbj.org/pdbjplus/data/cc/svg/L0X.svg) | L0X | Name: | N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | Formula: | C22 H37 N5 O | SMILES: | CCC(=O)N(CCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 | InChi: | InChI=1S/C22H37N5O/c1-2-21(28)27(15-8-4-7-14-25-22(23)24)20-12-17-26(18-13-20)16-11-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H4,23,24,25) | Definition date: | 2022-02-25 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
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![MBU MBU](https://data.pdbj.org/pdbjplus/data/cc/svg/MBU.svg) | MBU | Name: | (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Formula: | C30 H31 F3 N6 O | SMILES: | FC(F)(F)c1nn(CC)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(CCc21)C(c1cc(C)ccn1)C1CC1 | InChi: | InChI=1S/C30H31F3N6O/c1-4-38-17-25(28(36-38)30(31,32)33)23-14-20(16-37-12-10-34-19(37)3)15-24-22(23)8-11-39(29(24)40)27(21-5-6-21)26-13-18(2)7-9-35-26/h7,9-10,12-15,17,21,27H,4-6,8,11,16H2,1-3H3/t27-/m0/s1 | Definition date: | 2022-03-15 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one |
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![I0I I0I](https://data.pdbj.org/pdbjplus/data/cc/svg/I0I.svg) | I0I | Name: | 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide | Formula: | C30 H34 N4 O2 | SMILES: | CC(NC(=O)c1cc(ccc1)C(c1ccccc1)N1C(=N)NC(C)(CC1=O)C(C)C)c1ccccc1 | InChi: | InChI=1S/C30H34N4O2/c1-20(2)30(4)19-26(35)34(29(31)33-30)27(23-14-9-6-10-15-23)24-16-11-17-25(18-24)28(36)32-21(3)22-12-7-5-8-13-22/h5-18,20-21,27H,19H2,1-4H3,(H2,31,33)(H,32,36)/t21-,27+,30-/m0/s1 | Definition date: | 2022-01-04 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide |
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![I0L I0L](https://data.pdbj.org/pdbjplus/data/cc/svg/I0L.svg) | I0L | Name: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide | Formula: | C29 H36 N4 O4 | SMILES: | N=C1NC(CC)(CC)CC(=O)N1C1CCOc2ccc(cc21)C(=O)NC1CC(C)(C)Oc2ccccc21 | InChi: | InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1 | Definition date: | 2022-01-04 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide |
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![N63 N63](https://data.pdbj.org/pdbjplus/data/cc/svg/N63.svg) | N63 | Name: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | Formula: | C22 H30 F3 N3 O8 S | SMILES: | FC(F)(F)c1cccc(c1)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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![N6O N6O](https://data.pdbj.org/pdbjplus/data/cc/svg/N6O.svg) | N6O | Name: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide | Formula: | C19 H16 Cl F N4 O2 | SMILES: | Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F | InChi: | InChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1 | Definition date: | 2022-03-24 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide |
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