General Information of the Compound
| Compound ID |
CP0509771
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| Compound Name |
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCC2)c1=O
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| InChI |
InChI=1S/C27H39N3O2/c1-27(2,15-18-29-16-9-10-17-29)30(26(32)21-11-5-4-6-12-21)20-23-19-22-13-7-8-14-24(22)28(3)25(23)31/h7-8,13-14,19,21H,4-6,9-12,15-18,20H2,1-3H3
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| InChIKey |
HRYOLWSYCGLMIP-UHFFFAOYSA-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