General Information of the Compound
| Compound ID |
CP0544915
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(1,1-difluoroethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H43F2N5O2
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| Molecular Weight |
555.714
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| Canonical SMILES |
CC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C31H43F2N5O2/c1-31(32,33)26-15-6-5-14-25(26)28-21-27(36-38(28)24-12-3-4-13-24)30(40)35-23(16-19-37-17-7-2-8-18-37)20-29(39)34-22-10-9-11-22/h5-6,14-15,21-24H,2-4,7-13,16-20H2,1H3,(H,34,39)(H,35,40)/t23-/m0/s1
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| InChIKey |
FXBLRKJCYSRWFG-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