![KYG KYG](https://data.pdbj.org/pdbjplus/data/cc/svg/KYG.svg) | KYG | Name: | (1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] | Formula: | C9 H21 O17 P3 | SMILES: | OP(OCC(CO)O)(=O)OC1C(O)C(C(C(C1O)O)OP(O)(O)=O)OP(=O)(O)O | InChi: | InChI=1S/C9H21O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h3-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t3-,4+,5-,6-,7+,8+,9+/m0/s1 | Definition date: | 2019-01-24 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] |
|
![QOS QOS](https://data.pdbj.org/pdbjplus/data/cc/svg/QOS.svg) | QOS | Name: | 3,5-dimethylpyrazin-2(1H)-one | Formula: | C6 H8 N2 O | SMILES: | C1=C(N=C(C)C(N1)=O)C | InChi: | InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9) | Definition date: | 2019-12-03 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 3,5-dimethylpyrazin-2(1H)-one |
|
![KZJ KZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KZJ.svg) | KZJ | Name: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide | Formula: | C23 H20 N8 O2 | SMILES: | N1(C(=O)C(=CC=C1)Nc2cc(c4n(n2)c(C(=O)NC3CC3)cn4)NC)c5ccc(cc5)C#N | InChi: | InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29) | Definition date: | 2019-01-28 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide |
|
![K6Q K6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/K6Q.svg) | K6Q | Name: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine | Formula: | C16 H20 F N | SMILES: | CC=CN1CCC(CC1)C=Cc2ccc(F)cc2 | InChi: | InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+ | Definition date: | 2019-04-30 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine |
|
![K72 K72](https://data.pdbj.org/pdbjplus/data/cc/svg/K72.svg) | K72 | Name: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine | Formula: | C17 H20 F3 N | SMILES: | CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F | InChi: | InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+ | Definition date: | 2019-04-30 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine |
|
![M9E M9E](https://data.pdbj.org/pdbjplus/data/cc/svg/M9E.svg) | M9E | Name: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide | Formula: | C14 H22 N4 O2 | SMILES: | CNCC(=O)NCc1ccc(CNC(=O)CNC)cc1 | InChi: | InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-3-5-12(6-4-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20) | Definition date: | 2019-10-08 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide |
|
![M9H M9H](https://data.pdbj.org/pdbjplus/data/cc/svg/M9H.svg) | M9H | Name: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide | Formula: | C14 H22 N4 O2 | SMILES: | CNCC(=O)NCc1cccc(CNC(=O)CNC)c1 | InChi: | InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-4-3-5-12(6-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20) | Definition date: | 2019-10-08 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide |
|
![K8B K8B](https://data.pdbj.org/pdbjplus/data/cc/svg/K8B.svg) | K8B | Name: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine | Formula: | C19 H29 N | SMILES: | CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C | InChi: | InChI=1S/C19H29N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h4,7-10,13,16,18H,5-6,11-12,14-15H2,1-3H3/b13-4+ | Definition date: | 2019-05-02 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine |
|
![S43 S43](https://data.pdbj.org/pdbjplus/data/cc/svg/S43.svg) | S43 | Name: | (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione | Formula: | C28 H45 N3 O5 | SMILES: | CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O | InChi: | InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione |
|
![KKD KKD](https://data.pdbj.org/pdbjplus/data/cc/svg/KKD.svg) | KKD | Name: | N-acetyl-L-aspartic acid | Formula: | C6 H9 N O5 | SMILES: | N(C(C)=O)C(C(=O)O)CC(=O)O | InChi: | InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | N-acetyl-L-aspartic acid |
|
![LR7 LR7](https://data.pdbj.org/pdbjplus/data/cc/svg/LR7.svg) | LR7 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Formula: | C21 H31 N3 O17 P2 | SMILES: | O=C1C=CN(C(N1)=O)C2C(C(C(O2)COP(O)(OP(=O)(O)OC3OC(CO)C(C(O)C3NC(=O)CCCC#C)O)=O)O)O | InChi: | InChI=1S/C21H31N3O17P2/c1-2-3-4-5-12(26)22-14-17(30)15(28)10(8-25)39-20(14)40-43(35,36)41-42(33,34)37-9-11-16(29)18(31)19(38-11)24-7-6-13(27)23-21(24)32/h1,6-7,10-11,14-20,25,28-31H,3-5,8-9H2,(H,22,26)(H,33,34)(H,35,36)(H,23,27,32)/t10-,11-,14-,15+,16-,17-,18-,19-,20-/m1/s1 | Definition date: | 2019-03-12 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6R)-3-(hex-5-ynoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
![KSW KSW](https://data.pdbj.org/pdbjplus/data/cc/svg/KSW.svg) | KSW | Name: | 2-methylcyclopenta-2,4-dien-1-one | Formula: | C6 H6 O | SMILES: | CC1=CC=CC1=O | InChi: | InChI=1S/C6H6O/c1-5-3-2-4-6(5)7/h2-4H,1H3 | Definition date: | 2019-06-20 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 2-methylcyclopenta-2,4-dien-1-one |
|
![Q5S Q5S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5S.svg) | Q5S | Name: | 2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose | Formula: | C48 H81 N O12 P2 | SMILES: | C(/C=C(CC[C@H]=C(C)C)C)CC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]CCC(C)=[C@H]COP(O)(=O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(C)=O | InChi: | InChI=1S/C48H81NO12P2/c1-35(2)18-11-19-36(3)20-12-21-37(4)22-13-23-38(5)24-14-25-39(6)26-15-27-40(7)28-16-29-41(8)30-17-31-42(9)32-33-58-62(54,55)61-63(56,57)60-48-45(49-43(10)51)47(53)46(52)44(34-50)59-48/h18,20,22,24,26,28,30,32,44-48,50,52-53H,11-17,19,21,23,25,27,29,31,33-34H2,1-10H3,(H,49,51)(H,54,55)(H,56,57)/b36-20-,37-22-,38-24-,39-26-,40-28-,41-30-,42-32-/t44-,45-,46-,47-,48-/m1/s1 | Definition date: | 2019-09-24 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose |
|
![QLD QLD](https://data.pdbj.org/pdbjplus/data/cc/svg/QLD.svg) | QLD | Name: | ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | Formula: | C30 H32 Cl N9 O5 | SMILES: | [C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(OCC)=O)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C30H32ClN9O5/c1-3-45-29(42)23-7-5-4-6-22(36-27(41)13-8-18-14-19(31)9-12-26(18)40-17-33-38-39-40)28-32-16-25(37-28)21-11-10-20(15-24(21)35-23)34-30(43)44-2/h8-17,22-23,35H,3-7H2,1-2H3,(H,32,37)(H,34,43)(H,36,41)/b13-8+/t22-,23+/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate |
|
![QLJ QLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QLJ.svg) | QLJ | Name: | ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | Formula: | C32 H33 Cl N8 O5 | SMILES: | C2(CCCCC(c3cc(c1c(cc(cc1)NC(OC)=O)N2)ccn3)NC(=O)[C@H]=[C@H]c4cc(ccc4n5nnnc5)Cl)C(OCC)=O | InChi: | InChI=1S/C32H33ClN8O5/c1-3-46-31(43)26-7-5-4-6-25(38-30(42)13-8-21-16-22(33)9-12-29(21)41-19-35-39-40-41)28-17-20(14-15-34-28)24-11-10-23(18-27(24)37-26)36-32(44)45-2/h8-19,25-26,37H,3-7H2,1-2H3,(H,36,44)(H,38,42)/b13-8+/t25-,26+/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate |
|
![QLM QLM](https://data.pdbj.org/pdbjplus/data/cc/svg/QLM.svg) | QLM | Name: | methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | Formula: | C29 H30 Cl N9 O5 | SMILES: | [C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(=O)OC)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C29H30ClN9O5/c1-43-28(41)22-6-4-3-5-21(35-26(40)12-7-17-13-18(30)8-11-25(17)39-16-32-37-38-39)27-31-15-24(36-27)20-10-9-19(14-23(20)34-22)33-29(42)44-2/h7-16,21-22,34H,3-6H2,1-2H3,(H,31,36)(H,33,42)(H,35,40)/b12-7+/t21-,22+/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate |
|
![QLS QLS](https://data.pdbj.org/pdbjplus/data/cc/svg/QLS.svg) | QLS | Name: | methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | Formula: | C28 H27 Cl F3 N9 O3 | SMILES: | [C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(F)(F)F)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C28H27ClF3N9O3/c1-44-27(43)35-18-8-9-19-21(13-18)36-24(28(30,31)32)5-3-2-4-20(26-33-14-22(19)38-26)37-25(42)11-6-16-12-17(29)7-10-23(16)41-15-34-39-40-41/h6-15,20,24,36H,2-5H2,1H3,(H,33,38)(H,35,43)(H,37,42)/b11-6+/t20-,24+/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate |
|
![QM1 QM1](https://data.pdbj.org/pdbjplus/data/cc/svg/QM1.svg) | QM1 | Name: | 3-(carboxymethyl)pyridine-2-carboxylic acid | Formula: | C8 H7 N O4 | SMILES: | c1cnc(c(c1)CC(O)=O)C(=O)O | InChi: | InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13) | Definition date: | 2019-11-18 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 3-(carboxymethyl)pyridine-2-carboxylic acid |
|
![QM4 QM4](https://data.pdbj.org/pdbjplus/data/cc/svg/QM4.svg) | QM4 | Name: | (2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid | Formula: | C24 H22 N2 O7 | SMILES: | N1CCN(C(C1C(O)=O)C(O)=O)C(c4ccc3c2c(cc(CCC(O)=O)cc2)ccc3c4)=O | InChi: | InChI=1S/C24H22N2O7/c27-19(28)8-2-13-1-6-17-14(11-13)3-4-15-12-16(5-7-18(15)17)22(29)26-10-9-25-20(23(30)31)21(26)24(32)33/h1,3-7,11-12,20-21,25H,2,8-10H2,(H,27,28)(H,30,31)(H,32,33)/t20-,21+/m1/s1 | Definition date: | 2019-11-18 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid |
|
![HVT HVT](https://data.pdbj.org/pdbjplus/data/cc/svg/HVT.svg) | HVT | Name: | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione | Formula: | C32 H47 N3 O4 | SMILES: | CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O | InChi: | InChI=1S/C32H47N3O4/c1-23(2)31-32(39)33-19-13-9-7-5-3-4-6-8-10-16-29(37)34-27(28(36)22-30(38)35-31)21-24-17-18-25-14-11-12-15-26(25)20-24/h11-12,14-15,17-18,20,23,27-28,31,36H,3-10,13,16,19,21-22H2,1-2H3,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,31-/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione |
|
![HWE HWE](https://data.pdbj.org/pdbjplus/data/cc/svg/HWE.svg) | HWE | Name: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione | Formula: | C28 H45 N3 O4 | SMILES: | CC(C)[CH]1NC(=O)C[CH](O)[CH](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O | InChi: | InChI=1S/C28H45N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,27,32H,3-9,13-14,17-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1 | Definition date: | 2018-12-30 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione |
|
![HWK HWK](https://data.pdbj.org/pdbjplus/data/cc/svg/HWK.svg) | HWK | Name: | 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid | Formula: | C16 H14 O4 | SMILES: | OC(=O)c1ccccc1CCC2Oc3ccccc3O2 | InChi: | InChI=1S/C16H14O4/c17-16(18)12-6-2-1-5-11(12)9-10-15-19-13-7-3-4-8-14(13)20-15/h1-8,15H,9-10H2,(H,17,18) | Definition date: | 2019-01-02 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid |
|
![HY5 HY5](https://data.pdbj.org/pdbjplus/data/cc/svg/HY5.svg) | HY5 | Name: | FC-NCPC | Formula: | C36 H57 N O10 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(=O)C5CC5 | InChi: | InChI=1S/C36H57NO10/c1-8-35(4,5)45-17-25-29(40)30(41)31(42)34(46-25)47-32-27-23(18(2)15-37-33(43)20-9-10-20)13-26(38)36(27,6)14-24-21(16-44-7)11-12-22(24)19(3)28(32)39/h8,14,18-22,25-26,28-32,34,38-42H,1,9-13,15-17H2,2-7H3,(H,37,43)/b24-14-/t18-,19-,21-,22+,25-,26+,28-,29-,30+,31-,32-,34-,36+/m1/s1 | Definition date: | 2019-01-02 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]cyclopropanecarboxamide |
|
![HYK HYK](https://data.pdbj.org/pdbjplus/data/cc/svg/HYK.svg) | HYK | Name: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea | Formula: | C34 H39 N7 O2 | SMILES: | CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12 | InChi: | InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28-/m0/s1 | Definition date: | 2019-01-04 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea |
|
![HYW HYW](https://data.pdbj.org/pdbjplus/data/cc/svg/HYW.svg) | HYW | Name: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea | Formula: | C34 H39 N7 O2 | SMILES: | CC(C)c1nnc2ccc(O[CH]3CC[CH](NC(=O)Nc4cc(nn4c5ccc(C)cc5)C(C)(C)C)c6ccccc36)cn12 | InChi: | InChI=1S/C34H39N7O2/c1-21(2)32-38-37-30-18-15-24(20-40(30)32)43-28-17-16-27(25-9-7-8-10-26(25)28)35-33(42)36-31-19-29(34(4,5)6)39-41(31)23-13-11-22(3)12-14-23/h7-15,18-21,27-28H,16-17H2,1-6H3,(H2,35,36,42)/t27-,28+/m0/s1 | Definition date: | 2019-01-04 | Last modified: | 2020-01-24 | Release date: | 2020-01-29 | Identifier: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea |
|