General Information of the Compound
| Compound ID |
CP0543283
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H41F4N5O3
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| Molecular Weight |
607.693
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| Canonical SMILES |
Fc1ccc(-c2cc(nn2C2CCCC2)C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)c(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C31H41F4N5O3/c32-21-11-12-25(28(17-21)43-20-31(33,34)35)27-19-26(38-40(27)24-9-2-3-10-24)30(42)37-23(13-16-39-14-4-1-5-15-39)18-29(41)36-22-7-6-8-22/h11-12,17,19,22-24H,1-10,13-16,18,20H2,(H,36,41)(H,37,42)/t23-/m0/s1
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| InChIKey |
BYIWZHCUVXONNO-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