General Information of the Compound
| Compound ID |
CP0551758
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-[(2S)-2-(trifluoromethyl)piperidin-1-yl]pentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H39F6N5O2
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| Molecular Weight |
627.674
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| Canonical SMILES |
FC(F)(F)[C@@H]1CCCCN1CC[C@@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(n1)C1CCCC1
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| InChI |
InChI=1S/C31H39F6N5O2/c32-30(33,34)24-13-4-3-12-23(24)26-19-25(40-42(26)22-10-1-2-11-22)29(44)39-21(18-28(43)38-20-8-7-9-20)15-17-41-16-6-5-14-27(41)31(35,36)37/h3-4,12-13,19-22,27H,1-2,5-11,14-18H2,(H,38,43)(H,39,44)/t21-,27-/m0/s1
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| InChIKey |
SSPPVOCTQFFBFS-IDISGSTGSA-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