![V95 V95](https://data.pdbj.org/pdbjplus/data/cc/svg/V95.svg) | V95 | Name: | methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate | Formula: | C16 H13 N3 O3 | SMILES: | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 | InChi: | InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) | Synonyms: | Mebendazole | Definition date: | 2021-04-30 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | methyl ~{N}-[6-(phenylcarbonyl)-1~{H}-benzimidazol-2-yl]carbamate |
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![VKK VKK](https://data.pdbj.org/pdbjplus/data/cc/svg/VKK.svg) | VKK | Name: | p-coumaroyl glucose | Formula: | C15 H18 O8 | SMILES: | OC[CH]1O[CH](OC(=O)C=Cc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate | Definition date: | 2021-05-25 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate |
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![8DE 8DE](https://data.pdbj.org/pdbjplus/data/cc/svg/8DE.svg) | 8DE | Name: | 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide | Formula: | C23 H19 N3 O3 S2 | SMILES: | O=C(Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2)C(c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27) | Definition date: | 2021-12-08 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide |
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![05Y 05Y](https://data.pdbj.org/pdbjplus/data/cc/svg/05Y.svg) | 05Y | Name: | ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide | Formula: | C17 H18 N4 O | SMILES: | CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3 | InChi: | InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22) | Definition date: | 2021-06-03 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide |
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![06D 06D](https://data.pdbj.org/pdbjplus/data/cc/svg/06D.svg) | 06D | Name: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one | Formula: | C14 H19 N O2 | SMILES: | CCC(=O)N1CCC[CH]1c2ccc(OC)cc2 | InChi: | InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1 | Definition date: | 2021-06-03 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one |
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![YK2 YK2](https://data.pdbj.org/pdbjplus/data/cc/svg/YK2.svg) | YK2 | Name: | [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Formula: | C25 H27 F N8 O S | SMILES: | CCN1CCN(CC1)C(=O)c2ccc(Nc3ncc(F)c(n3)c4ccc5nc(sc5c4)N(C)C)nc2 | InChi: | InChI=1S/C25H27FN8OS/c1-4-33-9-11-34(12-10-33)23(35)17-6-8-21(27-14-17)30-24-28-15-18(26)22(31-24)16-5-7-19-20(13-16)36-25(29-19)32(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,28,30,31) | Definition date: | 2021-04-12 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone |
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![YTG YTG](https://data.pdbj.org/pdbjplus/data/cc/svg/YTG.svg) | YTG | Name: | N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide | Formula: | C26 H24 Cl N3 O3 | SMILES: | Clc1ccc(cc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[NH]c2ccc(O)cc21 | InChi: | InChI=1S/C26H24ClN3O3/c1-30(20-9-7-19(27)8-10-20)26(33)24(13-17-5-3-2-4-6-17)29-25(32)14-18-16-28-23-12-11-21(31)15-22(18)23/h2-12,15-16,24,28,31H,13-14H2,1H3,(H,29,32)/t24-/m0/s1 | Definition date: | 2021-03-31 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide |
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![YTY YTY](https://data.pdbj.org/pdbjplus/data/cc/svg/YTY.svg) | YTY | Name: | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C36 H55 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C36H55N2O12PS/c1-6-26(7-2)21-38(52(43,44)30-16-12-28(13-17-30)25(5)39)22-33(40)32(37-36(41)50-34-23-46-35-31(34)18-19-45-35)20-27-10-14-29(15-11-27)47-24-51(42,48-8-3)49-9-4/h10-17,25-26,31-35,39-40H,6-9,18-24H2,1-5H3,(H,37,41)/t25-,31-,32-,33+,34-,35+/m0/s1 | Definition date: | 2021-03-31 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![YUM YUM](https://data.pdbj.org/pdbjplus/data/cc/svg/YUM.svg) | YUM | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate | Formula: | C34 H45 N3 O9 S2 | SMILES: | Cc1nc(COc2ccc(CC(NC(=O)OC3COC4OCCC43)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(cc3)C(C)O)cc2)cs1 | InChi: | InChI=1S/C34H45N3O9S2/c1-21(2)16-37(48(41,42)28-11-7-25(8-12-28)22(3)38)17-31(39)30(36-34(40)46-32-19-45-33-29(32)13-14-43-33)15-24-5-9-27(10-6-24)44-18-26-20-47-23(4)35-26/h5-12,20-22,29-33,38-39H,13-19H2,1-4H3,(H,36,40)/t22-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate |
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![YUP YUP](https://data.pdbj.org/pdbjplus/data/cc/svg/YUP.svg) | YUP | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate | Formula: | C29 H38 F2 N2 O8 S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C29H38F2N2O8S/c1-17(2)14-33(42(37,38)23-6-4-20(5-7-23)18(3)34)15-26(35)25(12-19-10-21(30)13-22(31)11-19)32-29(36)41-27-16-40-28-24(27)8-9-39-28/h4-7,10-11,13,17-18,24-28,34-35H,8-9,12,14-16H2,1-3H3,(H,32,36)/t18-,24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate |
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![CZF CZF](https://data.pdbj.org/pdbjplus/data/cc/svg/CZF.svg) | CZF | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H15 N4 O15 P3 | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23 | InChi: | InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 | Synonyms: | xanthosine triphosphate | Definition date: | 2019-05-24 | Last modified: | 2022-03-28 | Release date: | 2020-06-24 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![ZOY ZOY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOY.svg) | ZOY | Name: | N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide | Formula: | C21 H35 N3 O2 | SMILES: | NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1 | InChi: | InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1 | Definition date: | 2021-05-18 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide |
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![5JR 5JR](https://data.pdbj.org/pdbjplus/data/cc/svg/5JR.svg) | 5JR | Name: | N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide | Formula: | C33 H42 N8 O5 | SMILES: | CCC(=O)Nc1ccccc1Nc2ncc3CN(C(=O)N(CCCN4CCN(CC4)C(=O)CC)c3n2)c5cc(OC)cc(OC)c5 | InChi: | InChI=1S/C33H42N8O5/c1-5-29(42)35-27-10-7-8-11-28(27)36-32-34-21-23-22-41(24-18-25(45-3)20-26(19-24)46-4)33(44)40(31(23)37-32)13-9-12-38-14-16-39(17-15-38)30(43)6-2/h7-8,10-11,18-21H,5-6,9,12-17,22H2,1-4H3,(H,35,42)(H,34,36,37) | Definition date: | 2021-08-19 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | ~{N}-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4~{H}-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide |
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![I67 I67](https://data.pdbj.org/pdbjplus/data/cc/svg/I67.svg) | I67 | Name: | N-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide | Formula: | C25 H31 N7 O S | SMILES: | CN1CCCN(CC1)c1nc(SCc2ccc(CNC(=O)CN)cc2)c(C#N)c(CC)c1C#N | InChi: | InChI=1S/C25H31N7OS/c1-3-20-21(13-26)24(32-10-4-9-31(2)11-12-32)30-25(22(20)14-27)34-17-19-7-5-18(6-8-19)16-29-23(33)15-28/h5-8H,3-4,9-12,15-17,28H2,1-2H3,(H,29,33) | Definition date: | 2021-10-04 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | N-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide |
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![J3R J3R](https://data.pdbj.org/pdbjplus/data/cc/svg/J3R.svg) | J3R | Name: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid | Formula: | C10 H10 N4 O5 | SMILES: | CN(CCC(O)=O)c1ccc(c2nonc12)[N+]([O-])=O | InChi: | InChI=1S/C10H10N4O5/c1-13(5-4-8(15)16)6-2-3-7(14(17)18)10-9(6)11-19-12-10/h2-3H,4-5H2,1H3,(H,15,16) | Definition date: | 2021-04-01 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid |
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![J4O J4O](https://data.pdbj.org/pdbjplus/data/cc/svg/J4O.svg) | J4O | Name: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone | Formula: | C20 H24 N4 O2 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2[nH]c3cc(ccc3n2)N4CCOCC4 | InChi: | InChI=1S/C20H24N4O2/c1-4-15-18(13(3)25)12(2)21-19(15)20-22-16-6-5-14(11-17(16)23-20)24-7-9-26-10-8-24/h5-6,11,21H,4,7-10H2,1-3H3,(H,22,23) | Definition date: | 2021-04-06 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1~{H}-benzimidazol-2-yl)-1~{H}-pyrrol-3-yl]ethanone |
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![MW0 MW0](https://data.pdbj.org/pdbjplus/data/cc/svg/MW0.svg) | MW0 | Name: | (5-methylfuran-2-yl)methanol | Formula: | C6 H8 O2 | SMILES: | Cc1ccc(CO)o1 | InChi: | InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3 | Definition date: | 2022-03-21 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (5-methylfuran-2-yl)methanol |
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![MWC MWC](https://data.pdbj.org/pdbjplus/data/cc/svg/MWC.svg) | MWC | Name: | dihydroxy[(5-methylfuran-2-yl)methoxy]amine | Formula: | C6 H9 N O4 | SMILES: | ON(O)OCc1ccc(C)o1 | InChi: | InChI=1S/C6H9NO4/c1-5-2-3-6(11-5)4-10-7(8)9/h2-3,8-9H,4H2,1H3 | Definition date: | 2022-03-21 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | dihydroxy[(5-methylfuran-2-yl)methoxy]amine |
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![N1X N1X](https://data.pdbj.org/pdbjplus/data/cc/svg/N1X.svg) | N1X | Name: | (2S)-2-(5-methylfuran-2-yl)oxane | Formula: | C10 H14 O2 | SMILES: | Cc1oc(cc1)C1CCCCO1 | InChi: | InChI=1S/C10H14O2/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1 | Definition date: | 2022-03-23 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (2S)-2-(5-methylfuran-2-yl)oxane |
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![N2Q N2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N2Q.svg) | N2Q | Name: | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole | Formula: | C8 H8 N2 O | SMILES: | Cc1ccc(o1)c1[NH]ncc1 | InChi: | InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10) | Definition date: | 2022-03-23 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole |
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![FUI FUI](https://data.pdbj.org/pdbjplus/data/cc/svg/FUI.svg) | FUI | Name: | N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea | Formula: | C20 H21 Cl N4 O2 | SMILES: | Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N(C)C=1C(C)C | InChi: | InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27) | Definition date: | 2021-12-15 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea |
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![6ER 6ER](https://data.pdbj.org/pdbjplus/data/cc/svg/6ER.svg) | 6ER | Name: | (S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate | Formula: | C20 H41 N O8 P | SMILES: | CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC | InChi: | InChI=1S/C20H41NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18,24H,6-17H2,1-5H3/t18-/m0/s1 | Definition date: | 2016-03-23 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 |
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![K33 K33](https://data.pdbj.org/pdbjplus/data/cc/svg/K33.svg) | K33 | Name: | 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose | Formula: | C26 H51 N O15 P2 | SMILES: | O=P(O)(O)OC1CCC(O)C(COC2OC(CO)C(OP(=O)(O)O)C(O)C2NC(=O)CCCCCCCCCCCCC)O1 | InChi: | InChI=1S/C26H51NO15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(30)27-23-24(31)25(42-44(35,36)37)19(16-28)40-26(23)38-17-20-18(29)14-15-22(39-20)41-43(32,33)34/h18-20,22-26,28-29,31H,2-17H2,1H3,(H,27,30)(H2,32,33,34)(H2,35,36,37)/t18-,19+,20-,22+,23+,24-,25-,26-/m1/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose |
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![36H 36H](https://data.pdbj.org/pdbjplus/data/cc/svg/36H.svg) | 36H | Name: | 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol | Formula: | C25 H34 F N7 O | SMILES: | CC(C)n1cc(cn1)c2nc(Nc3ccc(N4CCC(CC4)N(C)CCO)c(F)c3)ncc2C | InChi: | InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30) | Definition date: | 2021-07-12 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | 2-[[1-[2-fluoranyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methyl-amino]ethanol |
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![C79 C79](https://data.pdbj.org/pdbjplus/data/cc/svg/C79.svg) | C79 | Name: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide | Formula: | C23 H23 F3 N6 O S | SMILES: | FC(F)(F)c1ccc(cc1)C(Sc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)C(N)=O | InChi: | InChI=1S/C23H23F3N6OS/c1-2-16-17(11-27)21(32-9-7-15(29)8-10-32)31-22(18(16)12-28)34-19(20(30)33)13-3-5-14(6-4-13)23(24,25)26/h3-6,15,19H,2,7-10,29H2,1H3,(H2,30,33)/t19-/m1/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide |
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