General Information of the Compound
| Compound ID |
CP0558018
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| Compound Name |
N-[(3S)-1-[cyclobutyl(methyl)amino]-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)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)N(C)C1CCC1
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| InChI |
InChI=1S/C32H47N5O4/c1-35(24-13-9-14-24)30(38)21-23(17-20-36-18-7-4-8-19-36)33-32(39)26-22-27(37(34-26)25-11-5-6-12-25)31-28(40-2)15-10-16-29(31)41-3/h10,15-16,22-25H,4-9,11-14,17-21H2,1-3H3,(H,33,39)/t23-/m0/s1
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| InChIKey |
UQXFEIOJIRVYRE-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