General Information of the Compound
| Compound ID |
CP0435527
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| Compound Name |
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-methoxyphenyl)benzoyl]amino]quinoline-6-carboxamide
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| Structure |
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| Formula |
C40H33FN4O4
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| Molecular Weight |
652.726
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| Canonical SMILES |
COc1ccc(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/C40H33FN4O4/c1-45(25-26-12-18-31(41)19-13-26)40(48)37(28-8-4-3-5-9-28)44-38(46)30-16-22-35-29(24-30)17-23-36(42-35)43-39(47)34-11-7-6-10-33(34)27-14-20-32(49-2)21-15-27/h3-24,37H,25H2,1-2H3,(H,44,46)(H,42,43,47)/t37-/m0/s1
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| InChIKey |
AEKLUJNEHYJEKW-QNGWXLTQSA-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