![R1Q R1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/R1Q.svg) | R1Q | Name: | vincristine | Formula: | C46 H56 N4 O10 | SMILES: | CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1 | InChi: | InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | Definition date: | 2020-08-25 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 |
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![UOV UOV](https://data.pdbj.org/pdbjplus/data/cc/svg/UOV.svg) | UOV | Name: | N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide | Formula: | C21 H24 N2 O2 | SMILES: | C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4 | InChi: | InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24) | Definition date: | 2020-05-26 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide |
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![QR8 QR8](https://data.pdbj.org/pdbjplus/data/cc/svg/QR8.svg) | QR8 | Name: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione | Formula: | C20 H36 O6 | SMILES: | C[CH]1C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=O)[CH](C)[CH](O)[CH](C)[CH]1O | InChi: | InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10-,11-,12-,13+,14+,15+,17-,18-,19-/m0/s1 | Definition date: | 2020-07-28 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione |
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![R8T R8T](https://data.pdbj.org/pdbjplus/data/cc/svg/R8T.svg) | R8T | Name: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid | Formula: | C12 H21 N O7 | SMILES: | CC(=O)N[CH]1[CH](O)C[CH](C[CH]1[CH](O)[CH](O)CO)C(O)=O | InChi: | InChI=1S/C12H21NO7/c1-5(15)13-10-7(11(18)9(17)4-14)2-6(12(19)20)3-8(10)16/h6-11,14,16-18H,2-4H2,1H3,(H,13,15)(H,19,20)/t6-,7-,8+,9-,10+,11+/m1/s1 | Synonyms: | isocarba-DANA | Definition date: | 2020-09-18 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid |
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![YO3 YO3](https://data.pdbj.org/pdbjplus/data/cc/svg/YO3.svg) | YO3 | Name: | YO3-biotin | Formula: | C21 H19 N2 O | SMILES: | CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C | InChi: | InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1 | Synonyms: | 3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium | Definition date: | 2019-10-17 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium |
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![RQ7 RQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/RQ7.svg) | RQ7 | Name: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid | Formula: | C32 H25 N7 O3 S | SMILES: | N4(c1nc(c(cc1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)cccc5C(=O)Nc6nc7c(s6)cccc7 | InChi: | InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40) | Definition date: | 2020-02-20 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid |
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![VU7 VU7](https://data.pdbj.org/pdbjplus/data/cc/svg/VU7.svg) | VU7 | Name: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide | Formula: | C24 H18 F2 N2 O2 | SMILES: | CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4 | InChi: | InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29) | Definition date: | 2020-09-15 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide |
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![V0Y V0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/V0Y.svg) | V0Y | Name: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile | Formula: | C24 H23 F2 N5 O2 | SMILES: | N#Cc1c(cc(cc1)C=3N=C(N2CCC(N)CC2)N(C(C=3c4cc(F)c(OC)cc4)=O)C)F | InChi: | InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3 | Definition date: | 2020-06-11 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile |
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![TFJ TFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TFJ.svg) | TFJ | Name: | (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate | Formula: | C32 H58 N2 O8 | SMILES: | N(C=O)([C@H]=CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN)C)OC(C1OCCC1)=O)OC)C)CC | InChi: | InChI=1S/C32H58N2O8/c1-9-34(21-35)18-16-24(5)31(39-8)25(6)26(42-32(37)27-12-11-19-40-27)15-14-23(4)29(38-7)20-28(22(2)3)41-30(36)13-10-17-33/h16,18,21-29,31H,9-15,17,19-20,33H2,1-8H3/b18-16+/t23-,24+,25-,26+,27+,28-,29-,31+/m0/s1 | Definition date: | 2020-03-20 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate |
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![OWW OWW](https://data.pdbj.org/pdbjplus/data/cc/svg/OWW.svg) | OWW | Name: | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide | Formula: | C28 H26 F3 N3 O4 | SMILES: | C[CH](C#Cc1cccc(c1)C(=O)NCC[CH](c2ccccc2)c3ccc(OC(F)(F)F)cc3)N(O)C(N)=O | InChi: | InChI=1S/C28H26F3N3O4/c1-19(34(37)27(32)36)10-11-20-6-5-9-23(18-20)26(35)33-17-16-25(21-7-3-2-4-8-21)22-12-14-24(15-13-22)38-28(29,30)31/h2-9,12-15,18-19,25,37H,16-17H2,1H3,(H2,32,36)(H,33,35)/t19-,25+/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide |
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![QA1 QA1](https://data.pdbj.org/pdbjplus/data/cc/svg/QA1.svg) | QA1 | Name: | Danazol | Formula: | C22 H27 N O2 | SMILES: | C21C(C(C#C)(CC1)O)(CCC3C2CCC=4C3(Cc5c(C=4)onc5)C)C | InChi: | InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | Synonyms: | (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8
]phenanthro[3,2-d][1,2]oxazol-1-ol | Definition date: | 2019-10-08 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol |
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![QC8 QC8](https://data.pdbj.org/pdbjplus/data/cc/svg/QC8.svg) | QC8 | Name: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide | Formula: | C23 H23 F N2 O4 | SMILES: | CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 | InChi: | InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20+/m1/s1 | Definition date: | 2020-06-04 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
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![QG2 QG2](https://data.pdbj.org/pdbjplus/data/cc/svg/QG2.svg) | QG2 | Name: | (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid | Formula: | C22 H27 N O19 S2 | SMILES: | CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O[CH]4O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]4N[S](O)(=O)=O)[CH](O)[CH]3O)C(O)=O)ccc12 | InChi: | InChI=1S/C22H27NO19S2/c1-7-4-12(24)39-10-5-8(2-3-9(7)10)38-22-17(28)16(27)18(19(42-22)20(29)30)41-21-13(23-43(31,32)33)15(26)14(25)11(40-21)6-37-44(34,35)36/h2-5,11,13-19,21-23,25-28H,6H2,1H3,(H,29,30)(H,31,32,33)(H,34,35,36)/t11-,13-,14-,15-,16-,17-,18+,19+,21-,22-/m1/s1 | Definition date: | 2020-06-16 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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![E5O E5O](https://data.pdbj.org/pdbjplus/data/cc/svg/E5O.svg) | E5O | Name: | 2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine | Formula: | C11 H16 Br Cu N5 S | SMILES: | CCc1ncc[n+]2c1C(=[N+]3N=C(S[Cu--]23Br)N(C)C)C | InChi: | InChI=1S/C11H17N5S.BrH.Cu/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4 | Definition date: | 2019-10-18 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine |
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![LP0 LP0](https://data.pdbj.org/pdbjplus/data/cc/svg/LP0.svg) | LP0 | Name: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid | Formula: | C10 H16 B N4 O9 P S | SMILES: | OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O | InChi: | InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6- | Definition date: | 2019-07-25 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid |
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![EU9 EU9](https://data.pdbj.org/pdbjplus/data/cc/svg/EU9.svg) | EU9 | Name: | [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3R)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium | Formula: | C21 H26 N7 O7 S | SMILES: | N[CH](CC[S+](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4[N](=O)=O)C(O)=O | InChi: | InChI=1S/C21H25N7O7S/c22-12(21(31)32)5-6-36(7-11-3-1-2-4-13(11)28(33)34)8-14-16(29)17(30)20(35-14)27-10-26-15-18(23)24-9-25-19(15)27/h1-4,9-10,12,14,16-17,20,29-30H,5-8,22H2,(H2-,23,24,25,31,32)/p+1/t12-,14-,16-,17-,20-,36-/m1/s1 | Definition date: | 2020-01-24 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{R})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium |
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![N07 N07](https://data.pdbj.org/pdbjplus/data/cc/svg/N07.svg) | N07 | Name: | [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone | Formula: | C21 H21 N3 O2 | SMILES: | Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4 | InChi: | InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3 | Definition date: | 2019-04-26 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | [3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone |
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![ND5 ND5](https://data.pdbj.org/pdbjplus/data/cc/svg/ND5.svg) | ND5 | Name: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid | Formula: | C10 H9 Br2 N O4 | SMILES: | OC(=O)CCON=Cc1cc(Br)cc(Br)c1O | InChi: | InChI=1S/C10H9Br2NO4/c11-7-3-6(10(16)8(12)4-7)5-13-17-2-1-9(14)15/h3-5,16H,1-2H2,(H,14,15)/b13-5+ | Definition date: | 2019-11-22 | Last modified: | 2020-10-16 | Release date: | 2020-10-21 | Identifier: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid |
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![I6P I6P](https://data.pdbj.org/pdbjplus/data/cc/svg/I6P.svg) | I6P | Name: | INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE | Formula: | C6 H18 O24 P6 | SMILES: | O=P(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6- | Synonyms: | MYO-INOSITOL HEXAKISPHOSPHATE | Definition date: | 2010-03-31 | Last modified: | 2020-10-14 | Identifier: | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)] |
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![UEY UEY](https://data.pdbj.org/pdbjplus/data/cc/svg/UEY.svg) | UEY | Name: | 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C19 H17 N5 | SMILES: | c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4 | InChi: | InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UF7 UF7](https://data.pdbj.org/pdbjplus/data/cc/svg/UF7.svg) | UF7 | Name: | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C29 H28 N6 | SMILES: | C3C(c1ccccc1)c2ccccc2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6 | InChi: | InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UFA UFA](https://data.pdbj.org/pdbjplus/data/cc/svg/UFA.svg) | UFA | Name: | 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C26 H30 N6 | SMILES: | c1ccc(cc1)C(c3cc(nc2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5 | InChi: | InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19-,21-,22-/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![UFD UFD](https://data.pdbj.org/pdbjplus/data/cc/svg/UFD.svg) | UFD | Name: | 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C28 H32 N6 | SMILES: | c1cccc(c1)C(c3cc(nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6 | InChi: | InChI=1S/C28H32N6/c29-24-19-23(25-26(31-24)33-34-32-25)22(20-7-3-1-4-8-20)11-18-30-28-15-12-27(13-16-28,14-17-28)21-9-5-2-6-10-21/h1-10,19,22,30H,11-18H2,(H3,29,31,32,33,34)/t22-,27-,28+/m1/s1 | Definition date: | 2020-05-14 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![V9D V9D](https://data.pdbj.org/pdbjplus/data/cc/svg/V9D.svg) | V9D | Name: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide | Formula: | C8 H8 N2 O4 | SMILES: | C(=O)(NO)c1cccc(c1)C(NO)=O | InChi: | InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12) | Definition date: | 2020-07-20 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide |
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![U27 U27](https://data.pdbj.org/pdbjplus/data/cc/svg/U27.svg) | U27 | Name: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Formula: | C24 H23 N7 O3 S2 | SMILES: | C5C(Oc1sc(nn1)NC(Cc2ccccc2)=O)CN(c4nnc(NC(Cc3ccccc3)=O)s4)C5 | InChi: | InChI=1S/C24H23N7O3S2/c32-19(13-16-7-3-1-4-8-16)25-21-27-29-23(35-21)31-12-11-18(15-31)34-24-30-28-22(36-24)26-20(33)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,27,32)(H,26,28,33)/t18-/m1/s1 | Definition date: | 2019-10-10 | Last modified: | 2020-10-09 | Release date: | 2020-10-14 | Identifier: | 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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