General Information of the Compound
| Compound ID |
CP0504764
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| Compound Name |
(1S,3aR,6aS)-2-[(S)-2-((R)-2-Hydroxy-3-methyl-butyrylamino)-3-methyl-butyryl]-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-phenylaminooxalyl-butyl)-amide
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| Structure |
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| Formula |
C30H44N4O6
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| Molecular Weight |
556.704
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C30H44N4O6/c1-6-11-22(26(36)29(39)31-20-13-8-7-9-14-20)32-27(37)24-21-15-10-12-19(21)16-34(24)30(40)23(17(2)3)33-28(38)25(35)18(4)5/h7-9,13-14,17-19,21-25,35H,6,10-12,15-16H2,1-5H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22?,23-,24-,25+/m0/s1
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| InChIKey |
JCHXIOVKPGVIIT-IXWFTCOSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound