General Information of the Compound
| Compound ID |
CP0413694
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| Compound Name |
4-[1-(2-cyanobenzoyl)piperidin-4-yl]-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccc2C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N5O2/c23-22(24,25)18-11-14(19(31)29-21(27)28)5-6-16(18)13-7-9-30(10-8-13)20(32)17-4-2-1-3-15(17)12-26/h1-6,11,13H,7-10H2,(H4,27,28,29,31)
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| InChIKey |
REUPOOSGSYNYCY-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