![J4K J4K](https://data.pdbj.org/pdbjplus/data/cc/svg/J4K.svg) | J4K | Name: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole | Formula: | C8 H7 Cl N4 O | SMILES: | Clc1ccc(OCc2[nH]nnn2)cc1 | InChi: | InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13) | Definition date: | 2015-10-29 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole |
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![XBZ XBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XBZ.svg) | XBZ | Name: | 1,2,4-trimethylbenzene | Formula: | C9 H12 | SMILES: | c1c(ccc(c1C)C)C | InChi: | InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 | Definition date: | 2014-11-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 1,2,4-trimethylbenzene |
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![JB6 JB6](https://data.pdbj.org/pdbjplus/data/cc/svg/JB6.svg) | JB6 | Name: | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol | Formula: | C24 H34 N10 O13 P2 S2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CCO[P](S)(=O)OC[CH](O)CO[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O | InChi: | InChI=1S/C24H34N10O13P2S2/c25-19-13-21(29-6-27-19)33(8-31-13)23-17(38)15(36)11(46-23)1-2-42-48(40,50)43-3-10(35)4-44-49(41,51)45-5-12-16(37)18(39)24(47-12)34-9-32-14-20(26)28-7-30-22(14)34/h6-12,15-18,23-24,35-39H,1-5H2,(H,40,50)(H,41,51)(H2,25,27,29)(H2,26,28,30)/t10-,11+,12+,15+,16+,17+,18+,23+,24+,48+,49-/m0/s1 | Definition date: | 2015-04-30 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol |
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![YI6 YI6](https://data.pdbj.org/pdbjplus/data/cc/svg/YI6.svg) | YI6 | Name: | 2-(4-ethoxyphenyl)ethanoic acid | Formula: | C10 H12 O3 | SMILES: | CCOc1ccc(CC(O)=O)cc1 | InChi: | InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) | Definition date: | 2015-11-15 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 2-(4-ethoxyphenyl)ethanoic acid |
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![YIE YIE](https://data.pdbj.org/pdbjplus/data/cc/svg/YIE.svg) | YIE | Name: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene | Formula: | C8 H6 Cl N4 | SMILES: | Clc1ccc(Cc2[n-]nnn2)cc1 | InChi: | InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1 | Definition date: | 2015-11-15 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene |
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![YIH YIH](https://data.pdbj.org/pdbjplus/data/cc/svg/YIH.svg) | YIH | Name: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene | Formula: | C8 H5 Cl2 N4 O | SMILES: | Clc1ccc(OCc2n[n-]nn2)cc1Cl | InChi: | InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1 | Definition date: | 2015-11-15 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
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![YIP YIP](https://data.pdbj.org/pdbjplus/data/cc/svg/YIP.svg) | YIP | Name: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene | Formula: | C8 H6 Cl N4 O | SMILES: | Clc1cccc(OCc2n[n-]nn2)c1 | InChi: | InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1 | Definition date: | 2015-11-15 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
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![JJB JJB](https://data.pdbj.org/pdbjplus/data/cc/svg/JJB.svg) | JJB | Name: | N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide | Formula: | C29 H28 N4 O5 S | SMILES: | O=S(=O)(NC(c3cc(CNC(c1ccc(cc1)c2ncccn2)=O)c(OCCC)cc3)=O)Cc4ccccc4 | InChi: | InChI=1S/C29H28N4O5S/c1-2-17-38-26-14-13-24(29(35)33-39(36,37)20-21-7-4-3-5-8-21)18-25(26)19-32-28(34)23-11-9-22(10-12-23)27-30-15-6-16-31-27/h3-16,18H,2,17,19-20H2,1H3,(H,32,34)(H,33,35) | Definition date: | 2015-03-25 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide |
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![7F1 7F1](https://data.pdbj.org/pdbjplus/data/cc/svg/7F1.svg) | 7F1 | Name: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide | Formula: | C36 H46 N6 O6 S | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O | InChi: | InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1 | Definition date: | 2015-11-04 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide |
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![46V 46V](https://data.pdbj.org/pdbjplus/data/cc/svg/46V.svg) | 46V | Name: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea | Formula: | C8 H8 Br Cl N2 S | SMILES: | Brc1cc(Cl)c(NC(=S)NC)cc1 | InChi: | InChI=1S/C8H8BrClN2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea |
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![46W 46W](https://data.pdbj.org/pdbjplus/data/cc/svg/46W.svg) | 46W | Name: | 4-methylpiperidine-1-carboximidamide | Formula: | C7 H15 N3 | SMILES: | [N@H]=C(N)N1CCC(C)CC1 | InChi: | InChI=1S/C7H15N3/c1-6-2-4-10(5-3-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 4-methylpiperidine-1-carboximidamide |
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![46X 46X](https://data.pdbj.org/pdbjplus/data/cc/svg/46X.svg) | 46X | Name: | 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile | Formula: | C8 H11 N5 | SMILES: | N#Cc2c(N1CCCC1)nnc2N | InChi: | InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile |
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![47A 47A](https://data.pdbj.org/pdbjplus/data/cc/svg/47A.svg) | 47A | Name: | 2-amino-1-(4-bromophenyl)ethanone | Formula: | C8 H8 Br N O | SMILES: | O=C(c1ccc(Br)cc1)CN | InChi: | InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 2-amino-1-(4-bromophenyl)ethanone |
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![47B 47B](https://data.pdbj.org/pdbjplus/data/cc/svg/47B.svg) | 47B | Name: | 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine | Formula: | C11 H6 F2 N4 | SMILES: | Fc3ccc(c1nnc2nccn2c1)cc3F | InChi: | InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine |
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![47E 47E](https://data.pdbj.org/pdbjplus/data/cc/svg/47E.svg) | 47E | Name: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid | Formula: | C8 H7 Cl O3 | SMILES: | Clc1cc(ccc1)C(O)C(=O)O | InChi: | InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid |
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![47G 47G](https://data.pdbj.org/pdbjplus/data/cc/svg/47G.svg) | 47G | Name: | 5-(aminomethyl)-2-methoxyphenol | Formula: | C8 H11 N O2 | SMILES: | Oc1cc(ccc1OC)CN | InChi: | InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-(aminomethyl)-2-methoxyphenol |
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![47J 47J](https://data.pdbj.org/pdbjplus/data/cc/svg/47J.svg) | 47J | Name: | 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine | Formula: | C6 H11 N3 | SMILES: | n1c(cc(n1C)CN)C | InChi: | InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine |
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![47L 47L](https://data.pdbj.org/pdbjplus/data/cc/svg/47L.svg) | 47L | Name: | N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide | Formula: | C12 H21 N O2 | SMILES: | O=C(NCC1OCCC1)C2CCCCC2 | InChi: | InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)/t11-/m1/s1 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide |
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![47M 47M](https://data.pdbj.org/pdbjplus/data/cc/svg/47M.svg) | 47M | Name: | 1-[5-(trifluoromethyl)furan-2-yl]methanamine | Formula: | C6 H6 F3 N O | SMILES: | FC(F)(F)c1oc(cc1)CN | InChi: | InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 1-[5-(trifluoromethyl)furan-2-yl]methanamine |
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![47P 47P](https://data.pdbj.org/pdbjplus/data/cc/svg/47P.svg) | 47P | Name: | 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one | Formula: | C15 H19 N3 O | SMILES: | O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C | InChi: | InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one |
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![47Q 47Q](https://data.pdbj.org/pdbjplus/data/cc/svg/47Q.svg) | 47Q | Name: | 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one | Formula: | C13 H12 N4 O | SMILES: | O=C2Nc1ccc(cc1N2)NCc3ncccc3 | InChi: | InChI=1S/C13H12N4O/c18-13-16-11-5-4-9(7-12(11)17-13)15-8-10-3-1-2-6-14-10/h1-7,15H,8H2,(H2,16,17,18) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one |
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![47R 47R](https://data.pdbj.org/pdbjplus/data/cc/svg/47R.svg) | 47R | Name: | (1Z)-N,N-diethylethanimidamide | Formula: | C6 H14 N2 | SMILES: | [N@H]=C(N(CC)CC)C | InChi: | InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3/b7-6- | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | (1Z)-N,N-diethylethanimidamide |
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![47S 47S](https://data.pdbj.org/pdbjplus/data/cc/svg/47S.svg) | 47S | Name: | 3-(dimethylamino)benzohydrazide | Formula: | C9 H13 N3 O | SMILES: | O=C(c1cc(N(C)C)ccc1)NN | InChi: | InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | 3-(dimethylamino)benzohydrazide |
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![47T 47T](https://data.pdbj.org/pdbjplus/data/cc/svg/47T.svg) | 47T | Name: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide | Formula: | C12 H21 N O2 | SMILES: | O=C(NC1CCC(C)CC1)C2OCCC2 | InChi: | InChI=1S/C12H21NO2/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10-,11-/m1/s1 | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide |
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![47U 47U](https://data.pdbj.org/pdbjplus/data/cc/svg/47U.svg) | 47U | Name: | N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide | Formula: | C13 H16 N4 O | SMILES: | O=C(Nc1ncccc1)Cc2c(n(nc2C)C)C | InChi: | InChI=1S/C13H16N4O/c1-9-11(10(2)17(3)16-9)8-13(18)15-12-6-4-5-7-14-12/h4-7H,8H2,1-3H3,(H,14,15,18) | Definition date: | 2015-02-11 | Last modified: | 2016-02-26 | Release date: | 2016-03-02 | Identifier: | N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
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