General Information of the Compound
| Compound ID |
CP0553001
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| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-[(1-methylcyclobutyl)amino]-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H47N5O4
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| Molecular Weight |
565.759
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1(C)CCC1
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| InChI |
InChI=1S/C32H47N5O4/c1-32(16-10-17-32)34-29(38)21-23(15-20-36-18-7-4-8-19-36)33-31(39)25-22-26(37(35-25)24-11-5-6-12-24)30-27(40-2)13-9-14-28(30)41-3/h9,13-14,22-24H,4-8,10-12,15-21H2,1-3H3,(H,33,39)(H,34,38)/t23-/m0/s1
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| InChIKey |
NRVMSZRYQWIGBT-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