![QQT QQT](https://data.pdbj.org/pdbjplus/data/cc/svg/QQT.svg) | QQT | Name: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C24 H27 Cl F N3 O5 | SMILES: | COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | InChi: | InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14-,18-,20+/m0/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QQW QQW](https://data.pdbj.org/pdbjplus/data/cc/svg/QQW.svg) | QQW | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C24 H28 Cl N3 O5 | SMILES: | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | InChi: | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QTG QTG](https://data.pdbj.org/pdbjplus/data/cc/svg/QTG.svg) | QTG | Name: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide | Formula: | C10 H14 F N O2 S | SMILES: | c1c(c(cc(c1)F)C)S(NCCC)(=O)=O | InChi: | InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3 | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide |
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![QTJ QTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QTJ.svg) | QTJ | Name: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | Formula: | C12 H9 Cl F N O3 S | SMILES: | NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O | InChi: | InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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![QTM QTM](https://data.pdbj.org/pdbjplus/data/cc/svg/QTM.svg) | QTM | Name: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | Formula: | C14 H14 Cl F N2 O3 S | SMILES: | NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F | InChi: | InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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![OGS OGS](https://data.pdbj.org/pdbjplus/data/cc/svg/OGS.svg) | OGS | Name: | 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside | Formula: | C20 H32 O9 S | SMILES: | C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(=O)(O)=O)O | InChi: | InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20+/m1/s1 | Definition date: | 2018-08-07 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside |
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![PQP PQP](https://data.pdbj.org/pdbjplus/data/cc/svg/PQP.svg) | PQP | Name: | 4-(1H-imidazol-1-yl)benzoic acid | Formula: | C10 H8 N2 O2 | SMILES: | c1cn(cn1)c2ccc(C(O)=O)cc2 | InChi: | InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14) | Definition date: | 2019-08-21 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-(1H-imidazol-1-yl)benzoic acid |
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![T6S T6S](https://data.pdbj.org/pdbjplus/data/cc/svg/T6S.svg) | T6S | Name: | alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside | Formula: | C12 H22 O14 S | SMILES: | C1(C(O)C(O)C(C(O1)OC2C(O)C(O)C(C(O2)CO)O)O)COS(O)(=O)=O | InChi: | InChI=1S/C12H22O14S/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 | Definition date: | 2018-08-07 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside |
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![U41 U41](https://data.pdbj.org/pdbjplus/data/cc/svg/U41.svg) | U41 | Name: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide | Formula: | C21 H20 Cl F N2 O2 | SMILES: | C(=O)(c1cccc(c1)Cl)NC24CC(C2)(C(C(=O)Nc3ccc(cc3)F)C)C4 | InChi: | InChI=1S/C21H20ClFN2O2/c1-13(18(26)24-17-7-5-16(23)6-8-17)20-10-21(11-20,12-20)25-19(27)14-3-2-4-15(22)9-14/h2-9,13H,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,20-,21+/m1/s1 | Definition date: | 2020-04-15 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide |
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![V67 V67](https://data.pdbj.org/pdbjplus/data/cc/svg/V67.svg) | V67 | Name: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid | Formula: | C15 H9 F2 N5 O3 | SMILES: | n1(cncc1)c2nnc(cc2)C(Nc3c(cc(c(c3)F)F)C(O)=O)=O | InChi: | InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25) | Definition date: | 2020-07-06 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid |
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![V9G V9G](https://data.pdbj.org/pdbjplus/data/cc/svg/V9G.svg) | V9G | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE | Formula: | C22 H32 N10 O17 P3 | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56 | InChi: | InChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 | Definition date: | 2020-07-21 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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![VJ1 VJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/VJ1.svg) | VJ1 | Name: | 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose | Formula: | C34 H68 N O12 P | SMILES: | C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO | InChi: | InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1 | Definition date: | 2020-08-13 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose |
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![VJ4 VJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/VJ4.svg) | VJ4 | Name: | 2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose | Formula: | C22 H44 N O11 P | SMILES: | N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O | InChi: | InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1 | Definition date: | 2020-08-13 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose |
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![S7D S7D](https://data.pdbj.org/pdbjplus/data/cc/svg/S7D.svg) | S7D | Name: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone | Formula: | C10 H15 N3 O2 | SMILES: | C[CH]1CN(CCO1)C(=O)Cn2cccn2 | InChi: | InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-08-20 | Release date: | 2020-03-25 | Identifier: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone |
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![4GC 4GC](https://data.pdbj.org/pdbjplus/data/cc/svg/4GC.svg) | 4GC | Name: | Beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose | Formula: | C24 H42 O21 | SMILES: | O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO | InChi: | InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+/m1/s1 | Definition date: | 2008-11-11 | Last modified: | 2020-08-19 | Identifier: | beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose |
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![G8O G8O](https://data.pdbj.org/pdbjplus/data/cc/svg/G8O.svg) | G8O | Name: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid | Formula: | C13 H12 O4 S | SMILES: | COc1cc(OC)c(cc1C(O)=O)c2sccc2 | InChi: | InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15) | Definition date: | 2020-08-06 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
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![CJA CJA](https://data.pdbj.org/pdbjplus/data/cc/svg/CJA.svg) | CJA | Name: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one | Formula: | C17 H20 N2 O S3 | SMILES: | c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3 | InChi: | InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3 | Definition date: | 2017-09-26 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one |
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![M9Z M9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/M9Z.svg) | M9Z | Name: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C24 H28 N8 O4 S | SMILES: | CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4 | InChi: | InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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![MBK MBK](https://data.pdbj.org/pdbjplus/data/cc/svg/MBK.svg) | MBK | Name: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C22 H26 Br N5 O4 S | SMILES: | CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 | InChi: | InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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![N0K N0K](https://data.pdbj.org/pdbjplus/data/cc/svg/N0K.svg) | N0K | Name: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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![N0N N0N](https://data.pdbj.org/pdbjplus/data/cc/svg/N0N.svg) | N0N | Name: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O6 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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![N0Q N0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N0Q.svg) | N0Q | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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![N0T N0T](https://data.pdbj.org/pdbjplus/data/cc/svg/N0T.svg) | N0T | Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol | Formula: | C14 H29 N O4 | SMILES: | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
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![N0W N0W](https://data.pdbj.org/pdbjplus/data/cc/svg/N0W.svg) | N0W | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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![6BV 6BV](https://data.pdbj.org/pdbjplus/data/cc/svg/6BV.svg) | 6BV | Name: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol | Formula: | C12 H22 O10 S | SMILES: | OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol |
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