General Information of the Compound
| Compound ID |
CP0522426
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-phenylpyrrolo[1,2-a]quinoline-4-carboxamide
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| Structure |
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| Formula |
C28H18F6N2O
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| Molecular Weight |
512.453
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)c2c(-c3ccccc3)c3ccccc3n3cccc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H18F6N2O/c29-27(30,31)19-13-17(14-20(15-19)28(32,33)34)16-35-26(37)25-23-11-6-12-36(23)22-10-5-4-9-21(22)24(25)18-7-2-1-3-8-18/h1-15H,16H2,(H,35,37)
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| InChIKey |
MNSQPPPTEDKYHO-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