General Information of the Compound
| Compound ID |
CP0172420
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| Compound Name |
4'-trifluoromethyl-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-amide
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| Structure |
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| Formula |
C29H29F3N4O
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| Molecular Weight |
506.572
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| Canonical SMILES |
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C29H29F3N4O/c1-19-17-27(36(4)16-15-35(2)3)34-26-14-13-24(18-25(19)26)33-28(37)22-7-5-20(6-8-22)21-9-11-23(12-10-21)29(30,31)32/h5-14,17-18H,15-16H2,1-4H3,(H,33,37)
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| InChIKey |
FCYYWOZROBLFFV-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