General Information of the Compound
| Compound ID |
CP0453793
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| Compound Name |
N-(diaminomethylidene)-3-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C22H20F6N4O2
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| Molecular Weight |
486.416
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F6N4O2/c23-21(24,25)15-4-1-13(2-5-15)19(34)32-9-7-12(8-10-32)16-6-3-14(18(33)31-20(29)30)11-17(16)22(26,27)28/h1-6,11-12H,7-10H2,(H4,29,30,31,33)
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| InChIKey |
LADSAFWLFOMHNF-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