General Information of the Compound
| Compound ID |
CP0503241
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-6-(4-methylpiperazin-1-yl)-4-phenylpyridine-3-carboxamide
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| Structure |
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| Formula |
C28H28F6N4O
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| Molecular Weight |
550.547
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(cc1-c1ccccc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3
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| InChIKey |
AFZUBBFQMWDRAV-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