![3FZ 3FZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3FZ.svg) | 3FZ | Name: | 3-formylbenzenecarboximidamide | Formula: | C8 H8 N2 O | SMILES: | O=Cc1cccc(C(=[N@H])N)c1 | InChi: | InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10) | Definition date: | 2009-10-08 | Last modified: | 2011-06-04 | Identifier: | 3-formylbenzenecarboximidamide |
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![3G3 3G3](https://data.pdbj.org/pdbjplus/data/cc/svg/3G3.svg) | 3G3 | Name: | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione | Formula: | C11 H9 N5 O2 | SMILES: | O=C1N(C(=O)c2ccccc12)CCc3nnnn3 | InChi: | InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15) | Definition date: | 2009-02-03 | Last modified: | 2011-06-04 | Identifier: | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
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![3GH 3GH](https://data.pdbj.org/pdbjplus/data/cc/svg/3GH.svg) | 3GH | Name: | N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide | Formula: | C50 H99 N O7 | SMILES: | O=C(NC(COC1OC(C(O)CC1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1 | Definition date: | 2010-12-03 | Last modified: | 2011-06-04 | Identifier: | N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide |
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![3GN 3GN](https://data.pdbj.org/pdbjplus/data/cc/svg/3GN.svg) | 3GN | Name: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide | Formula: | C13 H16 N4 O | SMILES: | O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3 | InChi: | InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1 | Definition date: | 2009-03-17 | Last modified: | 2011-06-04 | Identifier: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide |
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![3GP 3GP](https://data.pdbj.org/pdbjplus/data/cc/svg/3GP.svg) | 3GP | Name: | GUANOSINE-3'-MONOPHOSPHATE | Formula: | C10 H14 N5 O8 P | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO | InChi: | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 3'-guanylic acid |
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![3GU 3GU](https://data.pdbj.org/pdbjplus/data/cc/svg/3GU.svg) | 3GU | Name: | N6-cyclopentyladenosine | Formula: | C15 H21 N5 O4 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4 | InChi: | InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | Definition date: | 2009-04-10 | Last modified: | 2011-06-04 | Identifier: | N-cyclopentyladenosine |
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![3GV 3GV](https://data.pdbj.org/pdbjplus/data/cc/svg/3GV.svg) | 3GV | Name: | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid | Formula: | C11 H11 N O4 | SMILES: | O=C2N(c1c(O)cccc1)CC(C(=O)O)C2 | InChi: | InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1 | Definition date: | 2009-04-02 | Last modified: | 2011-06-04 | Identifier: | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
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![3HF 3HF](https://data.pdbj.org/pdbjplus/data/cc/svg/3HF.svg) | 3HF | Name: | N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide | Formula: | C36 H46 N4 O4 | SMILES: | O=C(c2c1ccccc1n(c2)C(=O)N(CCCC)CCCC)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4 | InChi: | InChI=1S/C36H46N4O4/c1-4-6-20-39(21-7-5-2)36(43)40-26-31(30-18-11-12-19-33(30)40)35(42)38-32(23-27-14-9-8-10-15-27)34(41)25-37-24-28-16-13-17-29(22-28)44-3/h8-19,22,26,32,34,37,41H,4-7,20-21,23-25H2,1-3H3,(H,38,42)/t32-,34+/m0/s1 | Definition date: | 2010-08-19 | Last modified: | 2011-06-04 | Identifier: | N~1~,N~1~-dibutyl-N~3~-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-1H-indole-1,3-dicarboxamide |
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![3HH 3HH](https://data.pdbj.org/pdbjplus/data/cc/svg/3HH.svg) | 3HH | Name: | N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide | Formula: | C34 H37 F2 N5 O4 | SMILES: | Fc1cc(cc(F)c1)CC(NC(=O)c3c2cc(C#N)ccc2n(c3)C(=O)N(CCCC)C)C(O)CNCc4cccc(OC)c4 | InChi: | InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1 | Definition date: | 2010-08-19 | Last modified: | 2011-06-04 | Identifier: | N~1~-butyl-5-cyano-N~3~-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]butan-2-yl}-N~1~-methyl-1H-indole-1,3-dicarboxamide |
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![3HP 3HP](https://data.pdbj.org/pdbjplus/data/cc/svg/3HP.svg) | 3HP | Name: | 3-HYDROXYPHENYLACETATE | Formula: | C8 H8 O3 | SMILES: | O=C(O)Cc1cc(O)ccc1 | InChi: | InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (3-hydroxyphenyl)acetic acid |
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![3HT 3HT](https://data.pdbj.org/pdbjplus/data/cc/svg/3HT.svg) | 3HT | Name: | 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione | Formula: | C16 H12 N4 O2 S | SMILES: | S=C1OC(=NN1)c4cc2c(ncn2c3ccc(OC)cc3)cc4 | InChi: | InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23) | Definition date: | 2008-11-19 | Last modified: | 2011-06-04 | Identifier: | 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione |
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![3IB 3IB](https://data.pdbj.org/pdbjplus/data/cc/svg/3IB.svg) | 3IB | Name: | 3-INDOLEBUTYRIC ACID | Formula: | C12 H13 N O2 | SMILES: | O=C(O)CCCc2c1ccccc1nc2 | InChi: | InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-(1H-indol-3-yl)butanoic acid |
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![3ID 3ID](https://data.pdbj.org/pdbjplus/data/cc/svg/3ID.svg) | 3ID | Name: | 3H-INDOLE-5,6-DIOL | Formula: | C8 H7 N O2 | SMILES: | Oc1cc2c(cc1O)ncc2 | InChi: | InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H | Definition date: | 2000-07-13 | Last modified: | 2011-06-04 | Identifier: | 1H-indole-5,6-diol |
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![3II 3II](https://data.pdbj.org/pdbjplus/data/cc/svg/3II.svg) | 3II | Name: | N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide | Formula: | C32 H34 Cl2 N4 O5 | SMILES: | Clc1ccc(c(Cl)c1)CCNC(=O)CN3C(=O)C5(N(c2ccccc2)C3)CCN(C(=O)c4ccc(OC)cc4OC)CC5 | InChi: | InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39) | Definition date: | 2009-08-04 | Last modified: | 2011-06-04 | Identifier: | N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide |
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![3IO 3IO](https://data.pdbj.org/pdbjplus/data/cc/svg/3IO.svg) | 3IO | Name: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | Formula: | C11 H9 N O3 | SMILES: | O=C(O)C(=O)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) | Definition date: | 2006-03-06 | Last modified: | 2011-06-04 | Identifier: | 3-(1H-indol-3-yl)-2-oxopropanoic acid |
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![3IP 3IP](https://data.pdbj.org/pdbjplus/data/cc/svg/3IP.svg) | 3IP | Name: | 3-(BENZYLOXY)PYRIDIN-2-AMINE | Formula: | C12 H12 N2 O | SMILES: | O(c1cccnc1N)Cc2ccccc2 | InChi: | InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14) | Definition date: | 2004-09-02 | Last modified: | 2011-06-04 | Identifier: | 3-(benzyloxy)pyridin-2-amine |
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![3JZ 3JZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3JZ.svg) | 3JZ | Name: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide | Formula: | C22 H21 F3 N6 O3 S | SMILES: | O=S(=O)(N(c1ccccc1CNc2nc(ncc2C(F)(F)F)Nc3cc4c(cc3)NC(=O)C4)C)C | InChi: | InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30) | Definition date: | 2009-02-04 | Last modified: | 2011-06-04 | Identifier: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide |
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![3KC 3KC](https://data.pdbj.org/pdbjplus/data/cc/svg/3KC.svg) | 3KC | Name: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol | Formula: | C20 H12 Cl N3 O | SMILES: | Clc5cc(O)ccc5C1=Nc4c(c2c3c1cnc3ncc2)cccc4 | InChi: | InChI=1S/C20H12ClN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,25H,(H,22,23) | Definition date: | 2009-10-22 | Last modified: | 2011-06-04 | Identifier: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol |
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![403 403](https://data.pdbj.org/pdbjplus/data/cc/svg/403.svg) | 403 | Name: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide | Formula: | C20 H24 Cl N3 O4 S | SMILES: | O[CH]([CH](O)C(=O)N1CCN(CC1)c2ccccc2Cl)C(=O)NCCc3sccc3 | InChi: | InChI=1S/C20H24ClN3O4S/c21-15-5-1-2-6-16(15)23-9-11-24(12-10-23)20(28)18(26)17(25)19(27)22-8-7-14-4-3-13-29-14/h1-6,13,17-18,25-26H,7-12H2,(H,22,27)/t17-,18-/m1/s1 | Definition date: | 2009-11-15 | Last modified: | 2011-06-04 | Identifier: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide |
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![410 410](https://data.pdbj.org/pdbjplus/data/cc/svg/410.svg) | 410 | Name: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid | Formula: | C26 H24 Br N O6 S | SMILES: | O=C(c1ccccc1)N(c2cccc(c2)c3sc(c(OCC(=O)O)c3Br)C(=O)O)C4CCCCC4 | InChi: | InChI=1S/C26H24BrNO6S/c27-21-22(34-15-20(29)30)24(26(32)33)35-23(21)17-10-7-13-19(14-17)28(18-11-5-2-6-12-18)25(31)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,29,30)(H,32,33) | Definition date: | 2008-04-22 | Last modified: | 2011-06-04 | Identifier: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid |
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![411 411](https://data.pdbj.org/pdbjplus/data/cc/svg/411.svg) | 411 | Name: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide | Formula: | C26 H22 Br N5 O2 | SMILES: | O=C(NC(=[N@H])N)Cn3c(ccc3c2ccc(NC(=O)c1cccc(Br)c1)cc2)c4ccccc4 | InChi: | InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33) | Definition date: | 2008-01-24 | Last modified: | 2011-06-04 | Identifier: | 3-bromo-N-{4-[1-(2-carbamimidamido-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl]phenyl}benzamide |
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![412 412](https://data.pdbj.org/pdbjplus/data/cc/svg/412.svg) | 412 | Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | Formula: | C12 H18 B N3 O3 | SMILES: | OCC1OB(OC1)c2ccc(cc2)CCNC(=[N@H])N | InChi: | InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1 | Definition date: | 2005-06-02 | Last modified: | 2011-06-04 | Identifier: | 1-(2-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl)guanidine |
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![414 414](https://data.pdbj.org/pdbjplus/data/cc/svg/414.svg) | 414 | Name: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE | Formula: | C24 H31 N4 O7 P | SMILES: | O=P(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)(O)C(NC(=O)OCc2ccccc2)C3CCCCC3 | InChi: | InChI=1S/C24H31N4O7P/c25-23(26)27-19-13-7-12-18(14-19)20(22(29)30)35-36(32,33)21(17-10-5-2-6-11-17)28-24(31)34-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-14,17,20-21H,2,5-6,10-11,15H2,(H,28,31)(H,29,30)(H,32,33)(H4,25,26,27)/t20-,21+/m0/s1 | Definition date: | 2007-04-20 | Last modified: | 2011-06-04 | Identifier: | (5R,6R,8S)-8-(3-carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide |
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![416 416](https://data.pdbj.org/pdbjplus/data/cc/svg/416.svg) | 416 | Name: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | Formula: | C15 H14 Cl F3 O3 | SMILES: | O=C(O)C1=Cc2c(OC1C(F)(F)F)cc(c(Cl)c2)C(C)(C)C | InChi: | InChI=1S/C15H14ClF3O3/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19/h4-6,12H,1-3H3,(H,20,21)/t12-/m0/s1 | Definition date: | 2010-09-13 | Last modified: | 2011-06-04 | Identifier: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid |
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![417 417](https://data.pdbj.org/pdbjplus/data/cc/svg/417.svg) | 417 | Name: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | Formula: | C18 H19 F6 N5 | SMILES: | Fc1cc(c(F)cc1F)C4CCC(N3Cc2nnc(n2CC3)C(F)(F)F)CC4N | InChi: | InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1 | Definition date: | 2007-04-13 | Last modified: | 2011-06-04 | Identifier: | (1S,2R,5S)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine |
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