General Information of the Compound
| Compound ID |
CP0392789
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| Compound Name |
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[(2-phenylbenzoyl)amino]quinoline-6-carboxamide
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| Structure |
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| Formula |
C39H31FN4O3
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| Molecular Weight |
622.7
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccccc3)ccc2c1)c1ccccc1
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| InChI |
InChI=1S/C39H31FN4O3/c1-44(25-26-16-20-31(40)21-17-26)39(47)36(28-12-6-3-7-13-28)43-37(45)30-18-22-34-29(24-30)19-23-35(41-34)42-38(46)33-15-9-8-14-32(33)27-10-4-2-5-11-27/h2-24,36H,25H2,1H3,(H,43,45)(H,41,42,46)/t36-/m0/s1
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| InChIKey |
MAQKTCKCJHCCLW-BHVANESWSA-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