General Information of the Compound
| Compound ID |
CP0453546
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| Compound Name |
2-(4-Methyl-piperazin-1-ylmethyl)-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C31H28F6N4O
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| Molecular Weight |
586.58
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| Canonical SMILES |
CN1CCN(Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
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| InChI |
InChI=1S/C31H28F6N4O/c1-40-11-13-41(14-12-40)19-26-28(27(21-7-3-2-4-8-21)24-9-5-6-10-25(24)39-26)29(42)38-18-20-15-22(30(32,33)34)17-23(16-20)31(35,36)37/h2-10,15-17H,11-14,18-19H2,1H3,(H,38,42)
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| InChIKey |
HNQQZKOBGZCHJY-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