General Information of the Compound
| Compound ID |
CP0545129
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(4-fluorophenyl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H34F4N4O2
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| Molecular Weight |
570.631
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| Canonical SMILES |
Fc1ccc(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(n2)C2CCCC2)cc1
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| InChI |
InChI=1S/C31H34F4N4O2/c32-21-15-12-20(13-16-21)14-17-23(18-29(40)36-22-6-5-7-22)37-30(41)27-19-28(39(38-27)24-8-1-2-9-24)25-10-3-4-11-26(25)31(33,34)35/h3-4,10-13,15-16,19,22-24H,1-2,5-9,14,17-18H2,(H,36,40)(H,37,41)/t23-/m0/s1
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| InChIKey |
FIOARZJYFLJKBV-QHCPKHFHSA-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