![H6G H6G](https://data.pdbj.org/pdbjplus/data/cc/svg/H6G.svg) | H6G | Name: | N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine | Formula: | C20 H24 N6 O3 | SMILES: | C1CCN(CCN1C(=O)/C=C)c2cc(NCCC(=O)O)nc(n2)c3ccccn3 | InChi: | InChI=1S/C20H24N6O3/c1-2-18(27)26-11-5-10-25(12-13-26)17-14-16(22-9-7-19(28)29)23-20(24-17)15-6-3-4-8-21-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,28,29)(H,22,23,24) | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine |
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![H6J H6J](https://data.pdbj.org/pdbjplus/data/cc/svg/H6J.svg) | H6J | Name: | N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine | Formula: | C19 H24 N6 O4 S | SMILES: | C1CCN(CCN1S([C@H]=C)(=O)=O)c3cc(NCCC(=O)O)nc(c2ccccn2)n3 | InChi: | InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23) | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine |
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![H6S H6S](https://data.pdbj.org/pdbjplus/data/cc/svg/H6S.svg) | H6S | Name: | 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H23 Cl N2 O3 S | SMILES: | c1(ccccc1C(OCCC2CCCN2C)c3sc4c(c3)nccc4C(=O)O)Cl | InChi: | InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20+/m0/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
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![H6T H6T](https://data.pdbj.org/pdbjplus/data/cc/svg/H6T.svg) | H6T | Name: | 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H23 Cl N2 O3 S | SMILES: | c1(c(cccc1)C(c2sc3c(c2)nccc3C(=O)O)OCCC4CCCN4C)Cl | InChi: | InChI=1S/C22H23ClN2O3S/c1-25-11-4-5-14(25)9-12-28-20(15-6-2-3-7-17(15)23)19-13-18-21(29-19)16(22(26)27)8-10-24-18/h2-3,6-8,10,13-14,20H,4-5,9,11-12H2,1H3,(H,26,27)/t14-,20-/m0/s1 | Definition date: | 2018-06-26 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid |
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![H6V H6V](https://data.pdbj.org/pdbjplus/data/cc/svg/H6V.svg) | H6V | Name: | 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H25 N3 O3 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(OCCN3CCCCC3)c4cccc(c4)N | InChi: | InChI=1S/C22H25N3O3S/c23-16-6-4-5-15(13-16)20(28-12-11-25-9-2-1-3-10-25)19-14-18-21(29-19)17(22(26)27)7-8-24-18/h4-8,13-14,20H,1-3,9-12,23H2,(H,26,27)/t20-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![H74 H74](https://data.pdbj.org/pdbjplus/data/cc/svg/H74.svg) | H74 | Name: | 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C25 H27 N3 O4 S | SMILES: | [C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C | InChi: | InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![H77 H77](https://data.pdbj.org/pdbjplus/data/cc/svg/H77.svg) | H77 | Name: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | Formula: | C28 H34 N4 O4 S | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(=O)[C@H]=[C@H]CN(C)C)OCCN4CCCCC4 | InChi: | InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+/t26-/m1/s1 | Definition date: | 2018-06-11 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid |
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![KAT KAT](https://data.pdbj.org/pdbjplus/data/cc/svg/KAT.svg) | KAT | Name: | (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone | Formula: | C13 H15 N5 O | SMILES: | C1N(CCN(C1)C(n2ccnn2)=O)c3ccccc3 | InChi: | InChI=1S/C13H15N5O/c19-13(18-7-6-14-15-18)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2 | Definition date: | 2018-04-20 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone |
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![D45 D45](https://data.pdbj.org/pdbjplus/data/cc/svg/D45.svg) | D45 | Name: | 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide) | Formula: | C18 H22 N4 O4 S2 | SMILES: | CN1CN[S](=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CN[S]4(=O)=O)cc12 | InChi: | InChI=1S/C18H22N4O4S2/c1-21-11-19-27(23,24)17-7-5-13(9-15(17)21)3-4-14-6-8-18-16(10-14)22(2)12-20-28(18,25)26/h5-10,19-20H,3-4,11-12H2,1-2H3 | Definition date: | 2017-12-18 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | 4-methyl-6-[2-[4-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-6-yl]ethyl]-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
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![82F 82F](https://data.pdbj.org/pdbjplus/data/cc/svg/82F.svg) | 82F | Name: | N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide | Formula: | C27 H38 N6 O2 | SMILES: | CCCN(CCC)C[CH]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24 | InChi: | InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m0/s1 | Definition date: | 2017-03-24 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | ~{N}-[2-[(2~{S})-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5~{H}-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide |
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![8CT 8CT](https://data.pdbj.org/pdbjplus/data/cc/svg/8CT.svg) | 8CT | Name: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene | Formula: | C40 H56 | SMILES: | CC=1CCCC(C=1[C@H]=[C@H]C(=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H]C2C(C)=CCCC2(C)C)C)(C)C | InChi: | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11-,19-13-,20-14-,27-25+,28-26+,31-17+,32-18-,33-21+,34-22+/t37-/m0/s1 | Definition date: | 2018-10-12 | Last modified: | 2018-11-16 | Release date: | 2018-11-21 | Identifier: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene |
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![EY5 EY5](https://data.pdbj.org/pdbjplus/data/cc/svg/EY5.svg) | EY5 | Name: | Erythromycin D | Formula: | C36 H65 N O12 | SMILES: | O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(O)(C2)C)C)C3C)C)C | InChi: | InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 | Definition date: | 2008-04-15 | Last modified: | 2018-11-12 | Identifier: | (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) |
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![6V1 6V1](https://data.pdbj.org/pdbjplus/data/cc/svg/6V1.svg) | 6V1 | Name: | (2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid | Formula: | C9 H14 N2 O4 S | SMILES: | CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O | InChi: | InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1 | Definition date: | 2016-07-01 | Last modified: | 2018-11-10 | Release date: | 2016-08-17 | Identifier: | (2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid |
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![6WK 6WK](https://data.pdbj.org/pdbjplus/data/cc/svg/6WK.svg) | 6WK | Name: | (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid | Formula: | C7 H15 N O4 S3 | SMILES: | N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O | InChi: | InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1 | Definition date: | 2016-07-11 | Last modified: | 2018-11-10 | Release date: | 2016-10-12 | Identifier: | (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid |
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![HQM HQM](https://data.pdbj.org/pdbjplus/data/cc/svg/HQM.svg) | HQM | Name: | (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid | Formula: | C28 H37 N3 O3 | SMILES: | CC(C)CN(C1CCCCC1)c3c(cc(C2C(C2)C(O)=O)cc3)NC(=O)Nc4ccc(cc4)C | InChi: | InChI=1S/C28H37N3O3/c1-18(2)17-31(22-7-5-4-6-8-22)26-14-11-20(23-16-24(23)27(32)33)15-25(26)30-28(34)29-21-12-9-19(3)10-13-21/h9-15,18,22-24H,4-8,16-17H2,1-3H3,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1 | Definition date: | 2018-07-17 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid |
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![HQS HQS](https://data.pdbj.org/pdbjplus/data/cc/svg/HQS.svg) | HQS | Name: | N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide | Formula: | C11 H12 Br F N6 O4 S2 | SMILES: | C(Sc2c(C(Nc1ccc(F)c(c1)Br)=NO)non2)CNS(N)(=O)=O | InChi: | InChI=1S/C11H12BrFN6O4S2/c12-7-5-6(1-2-8(7)13)16-10(17-20)9-11(19-23-18-9)24-4-3-15-25(14,21)22/h1-2,5,15,20H,3-4H2,(H,16,17)(H2,14,21,22) | Definition date: | 2018-07-17 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide |
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![G4A G4A](https://data.pdbj.org/pdbjplus/data/cc/svg/G4A.svg) | G4A | Name: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium | Formula: | C19 H19 N2 O4 S2 | SMILES: | c4c3c(OC(=C/c2sc1ccccc1[n+]2CCCS(O)(=O)=O)N3C)ccc4 | InChi: | InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3/p+1 | Definition date: | 2018-05-04 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium |
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![G9V G9V](https://data.pdbj.org/pdbjplus/data/cc/svg/G9V.svg) | G9V | Name: | 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | Formula: | C24 H25 N5 O3 | SMILES: | c3c(cc(C1=CN(CC[C@H]=C)C(c2nccc12)=O)c4c3n(C)cn4)C(N5CCOCC5)=O | InChi: | InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3 | Definition date: | 2018-05-17 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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![9X7 9X7](https://data.pdbj.org/pdbjplus/data/cc/svg/9X7.svg) | 9X7 | Name: | ethyl 2-oxopropanoate | Formula: | C5 H8 O3 | SMILES: | CCOC(=O)C(C)=O | InChi: | InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 | Definition date: | 2017-06-21 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | ethyl 2-oxopropanoate |
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![9Y0 9Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/9Y0.svg) | 9Y0 | Name: | (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate | Formula: | C39 H76 N O8 P | SMILES: | NCCOP(=O)(O)OCC(COC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(CCCCCCCCCCCCCCC)=O | InChi: | InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1 | Definition date: | 2018-08-29 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate |
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![9YF 9YF](https://data.pdbj.org/pdbjplus/data/cc/svg/9YF.svg) | 9YF | Name: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate | Formula: | C44 H85 O13 P | SMILES: | P(O)(OC1C(C(C(C(O)C1O)O)O)O)(OCC(COC(CCCCCCCC(C)CCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)=O | InChi: | InChI=1S/C44H85O13P/c1-4-6-8-10-12-13-14-15-16-17-19-23-28-32-38(46)56-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)33-54-37(45)31-27-24-20-22-26-30-35(3)29-25-21-18-11-9-7-5-2/h35-36,39-44,47-51H,4-34H2,1-3H3,(H,52,53)/t35-,36+,39-,40+,41+,42+,43-,44-/m0/s1 | Definition date: | 2018-08-30 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate |
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![J0G J0G](https://data.pdbj.org/pdbjplus/data/cc/svg/J0G.svg) | J0G | Name: | 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide | Formula: | C23 H26 N4 O2 | SMILES: | N(C(c2c(cc(c1ccncc1)cc2)NCCN)=O)C(c3cc(OC)ccc3)C | InChi: | InChI=1S/C23H26N4O2/c1-16(18-4-3-5-20(14-18)29-2)27-23(28)21-7-6-19(15-22(21)26-13-10-24)17-8-11-25-12-9-17/h3-9,11-12,14-16,26H,10,13,24H2,1-2H3,(H,27,28)/t16-/m1/s1 | Definition date: | 2018-08-01 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide |
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![J0P J0P](https://data.pdbj.org/pdbjplus/data/cc/svg/J0P.svg) | J0P | Name: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide | Formula: | C21 H18 N2 O3 | SMILES: | n4ccc(c1ccc(cc1)C(=O)NCc2c3c(ccc2)OCCO3)cc4 | InChi: | InChI=1S/C21H18N2O3/c24-21(17-6-4-15(5-7-17)16-8-10-22-11-9-16)23-14-18-2-1-3-19-20(18)26-13-12-25-19/h1-11H,12-14H2,(H,23,24) | Definition date: | 2018-08-02 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide |
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![BY2 BY2](https://data.pdbj.org/pdbjplus/data/cc/svg/BY2.svg) | BY2 | Name: | [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate | Formula: | C14 H22 N2 O3 | SMILES: | CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C | InChi: | InChI=1S/C14H22N2O3/c1-6-16(5)14(18)19-11-7-8-13(17)12(9-11)10(2)15(3)4/h7-10,17H,6H2,1-5H3/t10-/m1/s1 | Definition date: | 2017-10-30 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate |
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![FFK FFK](https://data.pdbj.org/pdbjplus/data/cc/svg/FFK.svg) | FFK | Name: | [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate | Formula: | C28 H49 N O12 P2 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O | InChi: | InChI=1S/C28H49NO12P2/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-38-42(34,35)41-43(36,37)40-28-25(29-23(6)31)27(33)26(32)24(18-30)39-28/h10,12,14,16,24-28,30,32-33H,7-9,11,13,15,17-18H2,1-6H3,(H,29,31)(H,34,35)(H,36,37)/b20-12-,21-14-,22-16-/t24-,25-,26-,27-,28-/m1/s1 | Definition date: | 2018-06-27 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{Z},6~{Z},10~{Z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate |
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