General Information of the Compound
| Compound ID |
CP0564495
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-[methyl(2-methylpropyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H42F3N5O2
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| Molecular Weight |
561.693
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| Canonical SMILES |
CC(C)CN(C)CC[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(n1)C1CCCC1
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| InChI |
InChI=1S/C30H42F3N5O2/c1-20(2)19-37(3)16-15-22(17-28(39)34-21-9-8-10-21)35-29(40)26-18-27(38(36-26)23-11-4-5-12-23)24-13-6-7-14-25(24)30(31,32)33/h6-7,13-14,18,20-23H,4-5,8-12,15-17,19H2,1-3H3,(H,34,39)(H,35,40)/t22-/m0/s1
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| InChIKey |
FUPVZSMPRGEENS-QFIPXVFZSA-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