General Information of the Compound
| Compound ID |
CP0527198
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| Compound Name |
2-[4-[2-[[6-[[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]carbamoyl]quinolin-2-yl]carbamoyl]phenyl]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C43H37FN4O5
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| Molecular Weight |
708.79
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(cc3)C(C)(C)C(O)=O)ccc2c1)c1ccccc1
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| InChI |
InChI=1S/C43H37FN4O5/c1-43(2,42(52)53)32-19-15-28(16-20-32)34-11-7-8-12-35(34)40(50)46-37-24-18-30-25-31(17-23-36(30)45-37)39(49)47-38(29-9-5-4-6-10-29)41(51)48(3)26-27-13-21-33(44)22-14-27/h4-25,38H,26H2,1-3H3,(H,47,49)(H,52,53)(H,45,46,50)/t38-/m0/s1
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| InChIKey |
CCYQZEHMKVWDMK-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