![4JQ 4JQ](https://data.pdbj.org/pdbjplus/data/cc/svg/4JQ.svg) | 4JQ | Name: | 6-amino-2H-chromen-2-one | Formula: | C9 H7 N O2 | SMILES: | c1c(cc2c(c1)OC(C=C2)=O)N | InChi: | InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2 | Definition date: | 2015-03-23 | Last modified: | 2015-08-07 | Release date: | 2015-08-12 | Identifier: | 6-amino-2H-chromen-2-one |
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![XOJ XOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XOJ.svg) | XOJ | Name: | 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea | Formula: | C27 H39 N7 O3 | SMILES: | CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3 | InChi: | InChI=1S/C27H39N7O3/c1-8-34(9-2)12-10-11-28-25-29-17-19-15-22(18-13-20(36-6)16-21(14-18)37-7)24(30-23(19)31-25)32-26(35)33-27(3,4)5/h13-17H,8-12H2,1-7H3,(H3,28,29,30,31,32,33,35) | Definition date: | 2015-06-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea |
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![43R 43R](https://data.pdbj.org/pdbjplus/data/cc/svg/43R.svg) | 43R | Name: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide | Formula: | C14 H16 N4 O2 S | SMILES: | O=C(Nc1nc3c(s1)CN(c2cc(OC)cnc2)CC3)C | InChi: | InChI=1S/C14H16N4O2S/c1-9(19)16-14-17-12-3-4-18(8-13(12)21-14)10-5-11(20-2)7-15-6-10/h5-7H,3-4,8H2,1-2H3,(H,16,17,19) | Definition date: | 2015-02-02 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
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![4PV 4PV](https://data.pdbj.org/pdbjplus/data/cc/svg/4PV.svg) | 4PV | Name: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | Formula: | C18 H18 F2 N4 | SMILES: | C1CN(CCN1C)C=4c2c(ccc(F)c2)Nc3ccc(F)cc3N=4 | InChi: | InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3 | Definition date: | 2015-05-04 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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![4QA 4QA](https://data.pdbj.org/pdbjplus/data/cc/svg/4QA.svg) | 4QA | Name: | 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one | Formula: | C29 H37 F N4 O2 | SMILES: | C24(CCN(Cc1cc(ccc1)OC(C)C)CC2)C(NC3CCCCC3)=NC(N4c5cccc(c5)F)=O | InChi: | InChI=1S/C29H37FN4O2/c1-21(2)36-26-13-6-8-22(18-26)20-33-16-14-29(15-17-33)27(31-24-10-4-3-5-11-24)32-28(35)34(29)25-12-7-9-23(30)19-25/h6-9,12-13,18-19,21,24H,3-5,10-11,14-17,20H2,1-2H3,(H,31,32,35) | Definition date: | 2015-05-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one |
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![4QD 4QD](https://data.pdbj.org/pdbjplus/data/cc/svg/4QD.svg) | 4QD | Name: | 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one | Formula: | C29 H38 F N5 O2 | SMILES: | C23(CCN(Cc1cc(ccc1)OC(C)CN)CC2)N(C(N=C3NC4CCCCC4)=O)c5cccc(c5)F | InChi: | InChI=1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1 | Definition date: | 2015-05-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one |
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![4QF 4QF](https://data.pdbj.org/pdbjplus/data/cc/svg/4QF.svg) | 4QF | Name: | (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one | Formula: | C27 H33 F N4 O | SMILES: | C1CN(C(C)CC13C(NC2CCCCC2)=NC(N3c4cccc(c4)F)=O)Cc5ccccc5 | InChi: | InChI=1S/C27H33FN4O/c1-20-18-27(15-16-31(20)19-21-9-4-2-5-10-21)25(29-23-12-6-3-7-13-23)30-26(33)32(27)24-14-8-11-22(28)17-24/h2,4-5,8-11,14,17,20,23H,3,6-7,12-13,15-16,18-19H2,1H3,(H,29,30,33)/t20-,27+/m0/s1 | Definition date: | 2015-05-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one |
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![4SN 4SN](https://data.pdbj.org/pdbjplus/data/cc/svg/4SN.svg) | 4SN | Name: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol | Formula: | C19 H32 N2 O14 S2 | SMILES: | C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(C)=O)COC(C)=O)S(=O)(=O)NCCCCCOS(=O)(=O)N | InChi: | InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16+,17+,18+,19-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol |
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![4TX 4TX](https://data.pdbj.org/pdbjplus/data/cc/svg/4TX.svg) | 4TX | Name: | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid | Formula: | C15 H22 O3 | SMILES: | c1c(OCCCC(C(=O)O)(C)C)c(ccc1C)C | InChi: | InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) | Definition date: | 2015-05-27 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid |
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![4VC 4VC](https://data.pdbj.org/pdbjplus/data/cc/svg/4VC.svg) | 4VC | Name: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea | Formula: | C13 H12 Cl N3 O | SMILES: | c1(Cl)ccccc1NC(NCc2cnccc2)=O | InChi: | InChI=1S/C13H12ClN3O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H2,16,17,18) | Definition date: | 2015-06-05 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea |
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![4VE 4VE](https://data.pdbj.org/pdbjplus/data/cc/svg/4VE.svg) | 4VE | Name: | N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | Formula: | C24 H20 F N5 O2 | SMILES: | CC(Nc1oc2c(n1)cc(cc2)F)c5ccc(C)c(NC(=O)c4n3c(cccc3)nc4)c5 | InChi: | InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1 | Definition date: | 2015-06-05 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide |
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![4WA 4WA](https://data.pdbj.org/pdbjplus/data/cc/svg/4WA.svg) | 4WA | Name: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide | Formula: | C12 H12 N4 O2 S | SMILES: | O=S(=O)(N)c1ccc(cc1)N=Nc2ccc(N)cc2 | InChi: | InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+ | Definition date: | 2015-06-11 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide |
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![52M 52M](https://data.pdbj.org/pdbjplus/data/cc/svg/52M.svg) | 52M | Name: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid | Formula: | C21 H13 N O6 S | SMILES: | SC(=O)Nc1cc(C(O)=O)c(cc1)C3=C2C=CC(C=C2Oc4c3ccc(c4)O)=O | InChi: | InChI=1S/C21H13NO6S/c23-11-2-5-14-17(8-11)28-18-9-12(24)3-6-15(18)19(14)13-4-1-10(22-21(27)29)7-16(13)20(25)26/h1-9,23H,(H,25,26)(H2,22,27,29) | Definition date: | 2015-07-16 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid |
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![C0A C0A](https://data.pdbj.org/pdbjplus/data/cc/svg/C0A.svg) | C0A | Name: | 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide | Formula: | C12 H16 Br F2 N2 O6 P S | SMILES: | Brc1cc(ccc1C(F)(F)P(=O)(O)O)CC(C(=O)NC)NS(=O)(=O)C | InChi: | InChI=1S/C12H16BrF2N2O6PS/c1-16-11(18)10(17-25(2,22)23)6-7-3-4-8(9(13)5-7)12(14,15)24(19,20)21/h3-5,10,17H,6H2,1-2H3,(H,16,18)(H2,19,20,21)/t10-/m0/s1 | Definition date: | 2015-02-09 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide |
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![3RL 3RL](https://data.pdbj.org/pdbjplus/data/cc/svg/3RL.svg) | 3RL | Name: | Pterostilbene | Formula: | C16 H16 O3 | SMILES: | O(c1cc(cc(OC)c1)C=Cc2ccc(O)cc2)C | InChi: | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ | Definition date: | 2014-10-15 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
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![3VT 3VT](https://data.pdbj.org/pdbjplus/data/cc/svg/3VT.svg) | 3VT | Name: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid | Formula: | C15 H15 B N2 O5 | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C | InChi: | InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1 | Definition date: | 2014-11-19 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid |
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![3VU 3VU](https://data.pdbj.org/pdbjplus/data/cc/svg/3VU.svg) | 3VU | Name: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | Formula: | C13 H14 B N3 O5 S | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C | InChi: | InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1 | Definition date: | 2014-11-19 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid |
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![RFM RFM](https://data.pdbj.org/pdbjplus/data/cc/svg/RFM.svg) | RFM | Name: | N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide | Formula: | C26 H21 N5 O2 S | SMILES: | O=C(N(Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c(cccc4)nn5 | InChi: | InChI=1S/C26H21N5O2S/c32-25(17-31-24-9-5-4-8-23(24)28-29-31)30(16-19-14-15-34-18-19)22-12-10-21(11-13-22)27-26(33)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,27,33) | Definition date: | 2015-03-15 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide |
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![3DJ 3DJ](https://data.pdbj.org/pdbjplus/data/cc/svg/3DJ.svg) | 3DJ | Name: | (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid | Formula: | C10 H12 N2 O4 | SMILES: | O=C(O)C(N)CC(=O)c1cccc(O)c1N | InChi: | InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1 | Definition date: | 2014-07-29 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid |
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![E23 E23](https://data.pdbj.org/pdbjplus/data/cc/svg/E23.svg) | E23 | Name: | N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide | Formula: | C19 H20 F3 N O | SMILES: | O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F | InChi: | InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24) | Definition date: | 2015-04-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide |
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![E24 E24](https://data.pdbj.org/pdbjplus/data/cc/svg/E24.svg) | E24 | Name: | N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide | Formula: | C15 H10 Cl2 F3 N O | SMILES: | Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F | InChi: | InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22) | Definition date: | 2015-04-08 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide |
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![4E5 4E5](https://data.pdbj.org/pdbjplus/data/cc/svg/4E5.svg) | 4E5 | Name: | (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline | Formula: | C12 H13 N O5 | SMILES: | N1C(C(O)=O)C(CC1)c2cc(cc(c2)O)C(O)=O | InChi: | InChI=1S/C12H13NO5/c14-8-4-6(3-7(5-8)11(15)16)9-1-2-13-10(9)12(17)18/h3-5,9-10,13-14H,1-2H2,(H,15,16)(H,17,18)/t9-,10+/m1/s1 | Definition date: | 2015-03-06 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline |
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![4E7 4E7](https://data.pdbj.org/pdbjplus/data/cc/svg/4E7.svg) | 4E7 | Name: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline | Formula: | C15 H19 N O4 | SMILES: | N1C(C(C(C1)CCC)c2cc(ccc2)C(=O)O)C(O)=O | InChi: | InChI=1S/C15H19NO4/c1-2-4-11-8-16-13(15(19)20)12(11)9-5-3-6-10(7-9)14(17)18/h3,5-7,11-13,16H,2,4,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13+/m1/s1 | Definition date: | 2015-03-06 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline |
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![4F4 4F4](https://data.pdbj.org/pdbjplus/data/cc/svg/4F4.svg) | 4F4 | Name: | N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide | Formula: | C24 H19 N5 O2 S2 | SMILES: | c2(ccc(NC(=O)c1cccs1)cc2)N(C(=O)Cn4c3c(cccc3)nn4)Cc5cscc5 | InChi: | InChI=1S/C24H19N5O2S2/c30-23(15-29-21-5-2-1-4-20(21)26-27-29)28(14-17-11-13-32-16-17)19-9-7-18(8-10-19)25-24(31)22-6-3-12-33-22/h1-13,16H,14-15H2,(H,25,31) | Definition date: | 2015-03-15 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide |
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![4F5 4F5](https://data.pdbj.org/pdbjplus/data/cc/svg/4F5.svg) | 4F5 | Name: | N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide | Formula: | C26 H28 N6 O3 S | SMILES: | CC(Nc4ccc(N(C(c1cscc1)C(NC(C)(C)C)=O)C(=O)Cn2nnc3c2cccc3)cc4)=O | InChi: | InChI=1S/C26H28N6O3S/c1-17(33)27-19-9-11-20(12-10-19)32(23(34)15-31-22-8-6-5-7-21(22)29-30-31)24(18-13-14-36-16-18)25(35)28-26(2,3)4/h5-14,16,24H,15H2,1-4H3,(H,27,33)(H,28,35)/t24-/m1/s1 | Definition date: | 2015-03-15 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide |
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