General Information of the Compound
| Compound ID |
CP0559397
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| Compound Name |
(1S,3aR,6aS)-4,4-Difluoro-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 |
C30H42F2N4O6
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| Molecular Weight |
592.684
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[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/C30H42F2N4O6/c1-6-10-21(25(38)28(41)33-18-11-8-7-9-12-18)34-26(39)23-19-13-14-30(31,32)20(19)15-36(23)29(42)22(16(2)3)35-27(40)24(37)17(4)5/h7-9,11-12,16-17,19-24,37H,6,10,13-15H2,1-5H3,(H,33,41)(H,34,39)(H,35,40)/t19-,20-,21?,22-,23-,24+/m0/s1
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| InChIKey |
LIXBSOHVZDEEHF-RRXGFBBESA-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