![L7J L7J](https://data.pdbj.org/pdbjplus/data/cc/svg/L7J.svg) | L7J | Name: | 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole | Formula: | C21 H15 Cl2 F3 N2 O3 S | SMILES: | c1(cc(ccc1)C(F)(F)F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O)=O | InChi: | InChI=1S/C21H15Cl2F3N2O3S/c22-18-10-27-11-19(23)17(18)12-31-15-5-4-13-6-7-28(20(13)9-15)32(29,30)16-3-1-2-14(8-16)21(24,25)26/h1-5,8-11H,6-7,12H2 | Definition date: | 2019-02-08 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole |
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![L7P L7P](https://data.pdbj.org/pdbjplus/data/cc/svg/L7P.svg) | L7P | Name: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol | Formula: | C26 H24 F7 N3 O | SMILES: | C(O)(C(F)(F)F)(c4cc(F)c(c3ccc(CN1CCN(CC1)Cc2ccncc2)cc3)cc4)C(F)(F)F | InChi: | InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2 | Definition date: | 2019-02-08 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol |
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![O2A O2A](https://data.pdbj.org/pdbjplus/data/cc/svg/O2A.svg) | O2A | Name: | N-methyl-1H-indole-7-carboxamide | Formula: | C10 H10 N2 O | SMILES: | N(C(c2cccc1ccnc12)=O)C | InChi: | InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13) | Definition date: | 2019-06-04 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | N-methyl-1H-indole-7-carboxamide |
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![NNM NNM](https://data.pdbj.org/pdbjplus/data/cc/svg/NNM.svg) | NNM | Name: | (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate | Formula: | C40 H69 O4 P | SMILES: | C(CCCC(=C)/CCCC(=C)CCC/C(CCCC(=C)CCC/C(CCCC(=C)CCCC(=C)C)=C)=C)(CCOP(O)(O)=O)C | InChi: | InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1 | Definition date: | 2019-05-22 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate |
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![L9J L9J](https://data.pdbj.org/pdbjplus/data/cc/svg/L9J.svg) | L9J | Name: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide | Formula: | C40 H54 F2 N6 O9 S | SMILES: | C34CN(C(C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F)C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6c(O4)nc5cc(OC)ccc5n6)C7)=O | InChi: | InChI=1S/C40H54F2N6O9S/c1-7-23-29-20-48(30(23)33(49)46-40(19-24(40)32(41)42)36(51)47-58(53,54)39(5)15-16-39)35(50)31(38(2,3)4)45-37(52)57-28-17-21(28)11-9-8-10-12-26-34(56-29)44-27-18-22(55-6)13-14-25(27)43-26/h13-14,18,21,23-24,28-32H,7-12,15-17,19-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/t21-,23-,24+,28-,29+,30+,31-,40-/m1/s1 | Definition date: | 2019-02-15 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
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![H4E H4E](https://data.pdbj.org/pdbjplus/data/cc/svg/H4E.svg) | H4E | Name: | ethyl 4-azanyl-3-bromanyl-benzoate | Formula: | C9 H10 Br N O2 | SMILES: | CCOC(=O)c1ccc(N)c(Br)c1 | InChi: | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3 | Definition date: | 2018-11-15 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | ethyl 4-azanyl-3-bromanyl-benzoate |
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![H4H H4H](https://data.pdbj.org/pdbjplus/data/cc/svg/H4H.svg) | H4H | Name: | (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide | Formula: | C15 H15 Cl N2 O3 S | SMILES: | Clc1cc(ccc1C#N)[S](=O)(=O)NC(=O)[CH]2C[CH]3CC[CH]2C3 | InChi: | InChI=1S/C15H15ClN2O3S/c16-14-7-12(4-3-11(14)8-17)22(20,21)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)/t9-,10+,13-/m0/s1 | Definition date: | 2018-11-15 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide |
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![H4T H4T](https://data.pdbj.org/pdbjplus/data/cc/svg/H4T.svg) | H4T | Name: | 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone | Formula: | C14 H15 Cl2 N O2 | SMILES: | Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2 | InChi: | InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2 | Definition date: | 2018-11-16 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone |
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![H5B H5B](https://data.pdbj.org/pdbjplus/data/cc/svg/H5B.svg) | H5B | Name: | 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid | Formula: | C11 H7 Br O3 | SMILES: | OC(=O)c1cc(Br)c2ccccc2c1O | InChi: | InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15) | Definition date: | 2018-11-16 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid |
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![H5E H5E](https://data.pdbj.org/pdbjplus/data/cc/svg/H5E.svg) | H5E | Name: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione | Formula: | C13 H17 N3 O2 S | SMILES: | CC(C)(C)c1csc(CN2C(=O)NC3(CC3)C2=O)n1 | InChi: | InChI=1S/C13H17N3O2S/c1-12(2,3)8-7-19-9(14-8)6-16-10(17)13(4-5-13)15-11(16)18/h7H,4-6H2,1-3H3,(H,15,18) | Definition date: | 2018-11-16 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione |
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![H6E H6E](https://data.pdbj.org/pdbjplus/data/cc/svg/H6E.svg) | H6E | Name: | 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane | Formula: | C15 H27 N O3 S | SMILES: | O=[S](=O)(C[CH]1CCCOC1)N2CCC3(CCCCC3)C2 | InChi: | InChI=1S/C15H27NO3S/c17-20(18,12-14-5-4-10-19-11-14)16-9-8-15(13-16)6-2-1-3-7-15/h14H,1-13H2/t14-/m1/s1 | Definition date: | 2018-11-16 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane |
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![LV4 LV4](https://data.pdbj.org/pdbjplus/data/cc/svg/LV4.svg) | LV4 | Name: | 1-[2-(trifluoromethyloxy)phenyl]thiourea | Formula: | C8 H7 F3 N2 O S | SMILES: | NC(=S)Nc1ccccc1OC(F)(F)F | InChi: | InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15) | Definition date: | 2019-03-15 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 1-[2-(trifluoromethyloxy)phenyl]thiourea |
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![KUM KUM](https://data.pdbj.org/pdbjplus/data/cc/svg/KUM.svg) | KUM | Name: | [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone | Formula: | C21 H19 N3 O4 | SMILES: | c1(c(c(OC)cc(c1)C(=O)c2cnc(n2)c4c3ccccc3nc4)OC)OC | InChi: | InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24) | Definition date: | 2018-01-17 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone |
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![PD9 PD9](https://data.pdbj.org/pdbjplus/data/cc/svg/PD9.svg) | PD9 | Name: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide | Formula: | C14 H15 N3 O5 | SMILES: | CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N | InChi: | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ | Definition date: | 2015-10-30 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide |
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![HKM HKM](https://data.pdbj.org/pdbjplus/data/cc/svg/HKM.svg) | HKM | Name: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile | Formula: | C16 H12 N4 O S | SMILES: | c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3 | InChi: | InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20) | Definition date: | 2018-07-09 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile |
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![HL7 HL7](https://data.pdbj.org/pdbjplus/data/cc/svg/HL7.svg) | HL7 | Name: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate | Formula: | C37 H47 N5 O4 S | SMILES: | O=C(NC)OC1CCCC1C6(C2CCN(CC2)CC3CN(C3)c5ccc(S(=O)(c4ccncc4)=O)cc5)CN(Cc7c6cccc7)C | InChi: | InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1 | Definition date: | 2018-07-10 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate |
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![HLG HLG](https://data.pdbj.org/pdbjplus/data/cc/svg/HLG.svg) | HLG | Name: | N-{3-[(4-aminobutyl)amino]propyl}acetamide | Formula: | C9 H21 N3 O | SMILES: | CC(NCCCNCCCCN)=O | InChi: | InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13) | Definition date: | 2018-07-11 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | N-{3-[(4-aminobutyl)amino]propyl}acetamide |
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![HRK HRK](https://data.pdbj.org/pdbjplus/data/cc/svg/HRK.svg) | HRK | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol | Formula: | C20 H27 N3 O9 S | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C20H27N3O9S/c24-7-11-14(26)13(23-6-10(21-22-23)9-4-2-1-3-5-9)16(28)19(31-11)33-20-18(30)17(29)15(27)12(8-25)32-20/h1-6,11-20,24-30H,7-8H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol |
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![J3Q J3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/J3Q.svg) | J3Q | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | Formula: | C21 H20 F3 N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)cc1 | InChi: | InChI=1S/C21H20F3N3O4S/c1-10-2-4-12(5-3-10)32-21-20(30)18(19(29)16(9-28)31-21)27-8-15(25-26-27)11-6-13(22)17(24)14(23)7-11/h2-8,16,18-21,28-30H,9H2,1H3/t16-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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![J4E J4E](https://data.pdbj.org/pdbjplus/data/cc/svg/J4E.svg) | J4E | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C21 H22 F N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)cc1 | InChi: | InChI=1S/C21H22FN3O4S/c1-12-2-8-15(9-3-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-4-6-14(22)7-5-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![J4N J4N](https://data.pdbj.org/pdbjplus/data/cc/svg/J4N.svg) | J4N | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C21 H21 F2 N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)cc(F)c4)cc1 | InChi: | InChI=1S/C21H21F2N3O4S/c1-11-2-4-15(5-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-6-13(22)8-14(23)7-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![J5E J5E](https://data.pdbj.org/pdbjplus/data/cc/svg/J5E.svg) | J5E | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C21 H21 F2 N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(F)c4)cc1 | InChi: | InChI=1S/C21H21F2N3O4S/c1-11-2-5-13(6-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-4-7-14(22)15(23)8-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![J5Q J5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/J5Q.svg) | J5Q | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C21 H22 F N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)cc1 | InChi: | InChI=1S/C21H22FN3O4S/c1-12-5-7-15(8-6-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-3-2-4-14(22)9-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![J5W J5W](https://data.pdbj.org/pdbjplus/data/cc/svg/J5W.svg) | J5W | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C21 H22 F N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)cc1 | InChi: | InChI=1S/C21H22FN3O4S/c1-12-6-8-13(9-7-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)14-4-2-3-5-15(14)22/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![J62 J62](https://data.pdbj.org/pdbjplus/data/cc/svg/J62.svg) | J62 | Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | Formula: | C22 H24 F N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)c(C)c4)cc1 | InChi: | InChI=1S/C22H24FN3O4S/c1-12-3-6-15(7-4-12)31-22-21(29)19(20(28)18(11-27)30-22)26-10-17(24-25-26)14-5-8-16(23)13(2)9-14/h3-10,18-22,27-29H,11H2,1-2H3/t18-,19+,20+,21-,22+/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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