General Information of the Compound
| Compound ID |
CP0512768
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| Compound Name |
6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
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| Formula |
C27H25BrN2O2
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| Molecular Weight |
489.413
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| Canonical SMILES |
COc1ccccc1C(C)CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1
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| InChI |
InChI=1S/C27H25BrN2O2/c1-17(21-11-7-8-12-24(21)32-3)16-29-27(31)25-18(2)26(19-9-5-4-6-10-19)30-23-14-13-20(28)15-22(23)25/h4-15,17H,16H2,1-3H3,(H,29,31)
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| InChIKey |
XUWIMBOVFJGMEM-UHFFFAOYSA-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