General Information of the Compound
| Compound ID |
CP0464083
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| Compound Name |
((S)-1-{(1S,3aR,6aS)-4,4-Difluoro-1-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-hexahydro-cyclopenta[c]pyrrole-2-carbonyl}-2,2-dimethyl-propyl)-carbamic acid isopropyl ester
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| Structure |
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| Formula |
C32H46F2N4O6
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| Molecular Weight |
620.738
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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)OC(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C32H46F2N4O6/c1-8-12-23(25(39)28(41)35-19(4)20-13-10-9-11-14-20)36-27(40)24-21-15-16-32(33,34)22(21)17-38(24)29(42)26(31(5,6)7)37-30(43)44-18(2)3/h9-11,13-14,18-19,21-24,26H,8,12,15-17H2,1-7H3,(H,35,41)(H,36,40)(H,37,43)/t19-,21-,22-,23?,24-,26+/m0/s1
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| InChIKey |
BYHFIRZVKRKDKA-IPIUQRAHSA-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