General Information of the Compound
| Compound ID |
CP0564494
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(3,3-difluoropiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H38F5N5O2
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| Molecular Weight |
595.657
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC(F)(F)C1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C30H38F5N5O2/c31-29(32)14-6-15-39(19-29)16-13-21(17-27(41)36-20-7-5-8-20)37-28(42)25-18-26(40(38-25)22-9-1-2-10-22)23-11-3-4-12-24(23)30(33,34)35/h3-4,11-12,18,20-22H,1-2,5-10,13-17,19H2,(H,36,41)(H,37,42)/t21-/m0/s1
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| InChIKey |
KNTDZVKHLMLJBV-NRFANRHFSA-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