![UGZ UGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UGZ.svg) | UGZ | Name: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide | Formula: | C25 H27 Cl N2 O5 S | SMILES: | COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3 | InChi: | InChI=1S/C25H27ClN2O5S/c1-31-23-14-17(6-7-19(23)16-27-10-11-28-34(2,29)30)20-4-3-5-21(25(20)26)18-8-9-22-24(15-18)33-13-12-32-22/h3-9,14-15,27-28H,10-13,16H2,1-2H3 | Synonyms: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide | Definition date: | 2021-02-23 | Last modified: | 2021-08-06 | Release date: | 2021-08-11 | Identifier: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide |
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![VCY VCY](https://data.pdbj.org/pdbjplus/data/cc/svg/VCY.svg) | VCY | Name: | [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid | Formula: | C24 H20 O5 | SMILES: | c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC | InChi: | InChI=1S/C24H20O5/c1-27-18-7-3-5-15(11-18)16-9-10-20-21(14-23(25)26)24(29-22(20)13-16)17-6-4-8-19(12-17)28-2/h3-13H,14H2,1-2H3,(H,25,26) | Definition date: | 2020-07-30 | Last modified: | 2021-08-06 | Release date: | 2021-08-11 | Identifier: | [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid |
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![VED VED](https://data.pdbj.org/pdbjplus/data/cc/svg/VED.svg) | VED | Name: | 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid | Formula: | C24 H18 O6 | SMILES: | c4(cccc(c2c(CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)=O | InChi: | InChI=1S/C24H18O6/c1-29-18-7-3-4-14(11-18)15-8-9-19-20(13-22(25)26)23(30-21(19)12-15)16-5-2-6-17(10-16)24(27)28/h2-12H,13H2,1H3,(H,25,26)(H,27,28) | Definition date: | 2020-08-04 | Last modified: | 2021-08-06 | Release date: | 2021-08-11 | Identifier: | 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid |
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![VJV VJV](https://data.pdbj.org/pdbjplus/data/cc/svg/VJV.svg) | VJV | Name: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | Formula: | C31 H43 N5 O3 | SMILES: | O=C(C2C1(CCN(C)CC1)C2)NC(c3nc(cn3)c5cc4ccc(C)nc4cc5)CCCCCC(CC)(O)O | InChi: | InChI=1S/C31H43N5O3/c1-4-31(38,39)13-7-5-6-8-26(35-29(37)24-19-30(24)14-16-36(3)17-15-30)28-32-20-27(34-28)23-11-12-25-22(18-23)10-9-21(2)33-25/h9-12,18,20,24,26,38-39H,4-8,13-17,19H2,1-3H3,(H,32,34)(H,35,37)/t24-,26+/m1/s1 | Definition date: | 2020-08-17 | Last modified: | 2021-08-06 | Release date: | 2021-08-11 | Identifier: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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![VN1 VN1](https://data.pdbj.org/pdbjplus/data/cc/svg/VN1.svg) | VN1 | Name: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide | Formula: | C22 H33 N9 O2 | SMILES: | CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC | InChi: | InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1 | Definition date: | 2020-08-28 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide |
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![YXP YXP](https://data.pdbj.org/pdbjplus/data/cc/svg/YXP.svg) | YXP | Name: | {(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | Formula: | C13 H11 N O5 S | SMILES: | OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O | InChi: | InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6- | Definition date: | 2021-04-06 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | {(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid |
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![VZG VZG](https://data.pdbj.org/pdbjplus/data/cc/svg/VZG.svg) | VZG | Name: | 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide | Formula: | C24 H26 N8 O4 | SMILES: | C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O | InChi: | InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33) | Definition date: | 2020-09-24 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide |
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![VZJ VZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VZJ.svg) | VZJ | Name: | 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide | Formula: | C21 H21 N7 O3 | SMILES: | COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4 | InChi: | InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29) | Definition date: | 2020-09-24 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide |
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![G70 G70](https://data.pdbj.org/pdbjplus/data/cc/svg/G70.svg) | G70 | Name: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid | Formula: | C37 H61 N5 O7 S | SMILES: | CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N[CH](C[CH](OC(C)=O)c2scc(n2)C(=O)N[CH](CC3CCCCC3)C[CH](C)C(O)=O)C(C)C | InChi: | InChI=1S/C37H61N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h21-24,26-28,30-32H,8-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31+,32-/m0/s1 | Definition date: | 2020-08-04 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid |
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![WF1 WF1](https://data.pdbj.org/pdbjplus/data/cc/svg/WF1.svg) | WF1 | Name: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid | Formula: | C12 H24 N2 O7 | SMILES: | C(OCCOCC(O)=O)CNC(COCCOCCN)=O | InChi: | InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) | Definition date: | 2020-10-23 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
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![GDF GDF](https://data.pdbj.org/pdbjplus/data/cc/svg/GDF.svg) | GDF | Name: | Vinorelbine | Formula: | C45 H54 N4 O8 | SMILES: | CCC1=C[CH]2C[N](C1)Cc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC | InChi: | InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38-,39+,42+,43+,44-,45-/m0/s1 | Definition date: | 2020-08-19 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 |
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![J00 J00](https://data.pdbj.org/pdbjplus/data/cc/svg/J00.svg) | J00 | Name: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | Formula: | C10 H9 B O4 | SMILES: | OB1O[CH](C(=C)C(O)=O)c2ccccc12 | InChi: | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1 | Synonyms: | (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid | Definition date: | 2021-03-08 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
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![J0F J0F](https://data.pdbj.org/pdbjplus/data/cc/svg/J0F.svg) | J0F | Name: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine | Formula: | C10 H12 Br N3 | SMILES: | CCCc1[nH]c2nc(C)ncc2c1Br | InChi: | InChI=1S/C10H12BrN3/c1-3-4-8-9(11)7-5-12-6(2)13-10(7)14-8/h5H,3-4H2,1-2H3,(H,12,13,14) | Definition date: | 2021-03-10 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 5-bromanyl-2-methyl-6-propyl-7~{H}-pyrrolo[2,3-d]pyrimidine |
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![J0L J0L](https://data.pdbj.org/pdbjplus/data/cc/svg/J0L.svg) | J0L | Name: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one | Formula: | C11 H14 N2 O | SMILES: | CNc1cccc2c1NC(=O)C2(C)C | InChi: | InChI=1S/C11H14N2O/c1-11(2)7-5-4-6-8(12-3)9(7)13-10(11)14/h4-6,12H,1-3H3,(H,13,14) | Definition date: | 2021-03-10 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 3,3-dimethyl-7-(methylamino)-1~{H}-indol-2-one |
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![XKJ XKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XKJ.svg) | XKJ | Name: | dodecyl beta-D-glucopyranoside | Formula: | C18 H36 O6 | SMILES: | C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O | InChi: | InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | dodecyl beta-D-glucopyranoside |
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![YA4 YA4](https://data.pdbj.org/pdbjplus/data/cc/svg/YA4.svg) | YA4 | Name: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid | Formula: | C5 H11 O6 P S | SMILES: | O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O | InChi: | InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1 | Definition date: | 2021-02-12 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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![H6U H6U](https://data.pdbj.org/pdbjplus/data/cc/svg/H6U.svg) | H6U | Name: | 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide | Formula: | C21 H24 N4 O2 S | SMILES: | Nc1scc(CC(=O)Nc2ccc(CCNC[CH](O)c3ccccc3)cc2)n1 | InChi: | InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1 | Definition date: | 2020-11-20 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2-(2-azanyl-1,3-thiazol-4-yl)-~{N}-[4-[2-[[(2~{R})-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide |
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![LMO LMO](https://data.pdbj.org/pdbjplus/data/cc/svg/LMO.svg) | LMO | Name: | dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside | Formula: | C24 H46 O11 | SMILES: | C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O | InChi: | InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1 | Synonyms: | DDMB | Definition date: | 2020-12-21 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside |
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![HUU HUU](https://data.pdbj.org/pdbjplus/data/cc/svg/HUU.svg) | HUU | Name: | 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | Formula: | C29 H28 Cl F3 N4 O2 | SMILES: | CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5 | InChi: | InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38) | Synonyms: | Telacebec | Definition date: | 2021-02-04 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 6-chloranyl-2-ethyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide |
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![QPZ QPZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QPZ.svg) | QPZ | Name: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide | Formula: | C18 H18 N2 O3 S | SMILES: | CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3 | InChi: | InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3 | Definition date: | 2020-07-22 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide |
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![QRB QRB](https://data.pdbj.org/pdbjplus/data/cc/svg/QRB.svg) | QRB | Name: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide | Formula: | C18 H19 N3 O3 | SMILES: | NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO | InChi: | InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23) | Definition date: | 2020-07-29 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
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![6ID 6ID](https://data.pdbj.org/pdbjplus/data/cc/svg/6ID.svg) | 6ID | Name: | ~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide | Formula: | C61 H112 N34 O9 | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2ncnc3[nH]ccc23)C(N)=O | InChi: | InChI=1S/C61H112N34O9/c62-46(98)37(13-6-23-78-55(63)64)88-50(100)39(15-8-25-80-57(67)68)90-52(102)41(17-10-27-82-59(71)72)92-54(104)43(19-12-29-84-61(75)76)93-53(103)42(18-11-28-83-60(73)74)91-51(101)40(16-9-26-81-58(69)70)89-49(99)38(14-7-24-79-56(65)66)87-44(96)20-4-2-1-3-5-21-45(97)94-31-33-95(34-32-94)48-36-22-30-77-47(36)85-35-86-48/h22,30,35,37-43H,1-21,23-29,31-34H2,(H2,62,98)(H,87,96)(H,88,100)(H,89,99)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H,77,85,86)/t37-,38-,39-,40-,41-,42-,43-/m1/s1 | Definition date: | 2021-07-27 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | ~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide |
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![RXE RXE](https://data.pdbj.org/pdbjplus/data/cc/svg/RXE.svg) | RXE | Name: | ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide | Formula: | C23 H22 Br4 Cl2 N4 O2 | SMILES: | Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl | InChi: | InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35) | Synonyms: | KN2 | Definition date: | 2020-10-29 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide |
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![05X 05X](https://data.pdbj.org/pdbjplus/data/cc/svg/05X.svg) | 05X | Name: | 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide | Formula: | C19 H18 F3 N3 O2 | SMILES: | CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2 | InChi: | InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27) | Definition date: | 2021-06-04 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | 2,4,6-tris(fluoranyl)-~{N}-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide |
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![07I 07I](https://data.pdbj.org/pdbjplus/data/cc/svg/07I.svg) | 07I | Name: | Spliceostatin E (form I) | Formula: | C26 H37 N O6 | SMILES: | C[CH]1C[CH](NC(=O)C=C[CH](C)OC(C)=O)[CH](C)O[CH]1CC=C(C)C=C[CH]2CC(=CC(=O)O2)C | InChi: | InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1 | Synonyms: | [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate | Definition date: | 2021-06-01 | Last modified: | 2021-07-30 | Release date: | 2021-08-04 | Identifier: | [(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-2,5-dimethyl-6-[(2~{E},4~{E})-3-methyl-5-[(2~{S})-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate |
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