General Information of the Compound
| Compound ID |
CP0482559
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| Compound Name |
2-[[2-(4-ethylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]quinoline-6-carboxamide
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| Structure |
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| Formula |
C41H35FN4O3
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| Molecular Weight |
650.754
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| Canonical SMILES |
CCc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc2cc(ccc2n1)C(=O)N[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C41H35FN4O3/c1-3-27-13-17-29(18-14-27)34-11-7-8-12-35(34)40(48)44-37-24-20-31-25-32(19-23-36(31)43-37)39(47)45-38(30-9-5-4-6-10-30)41(49)46(2)26-28-15-21-33(42)22-16-28/h4-25,38H,3,26H2,1-2H3,(H,45,47)(H,43,44,48)/t38-/m0/s1
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| InChIKey |
OLCIBVKTMMFOTI-LHEWISCISA-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