General Information of the Compound
| Compound ID |
CP0432753
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| Compound Name |
methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate
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| Structure |
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| Formula |
C26H22ClN3O3
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| Molecular Weight |
459.933
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| Canonical SMILES |
COC(=O)[C@H](C)c1ccc(C)c2ccc(nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1
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| InChIKey |
XFVHLKZDDHYLSX-MRXNPFEDSA-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