General Information of the Compound
| Compound ID |
CP0551630
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| Compound Name |
1-cyclopentyl-N-[(3S)-1-[(3,3-difluorocyclobutyl)amino]-1-oxo-5-piperidin-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H43F2N5O4
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| Molecular Weight |
587.712
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C31H43F2N5O4/c1-41-26-11-8-12-27(42-2)29(26)25-18-24(36-38(25)23-9-4-5-10-23)30(40)35-21(13-16-37-14-6-3-7-15-37)17-28(39)34-22-19-31(32,33)20-22/h8,11-12,18,21-23H,3-7,9-10,13-17,19-20H2,1-2H3,(H,34,39)(H,35,40)/t21-/m0/s1
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| InChIKey |
RHQAUFANQUICQB-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