General Information of the Compound
| Compound ID |
CP0453794
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| Compound Name |
N-(diaminomethylidene)-4-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H20F4N4O2
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| Molecular Weight |
436.409
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(F)cc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F4N4O2/c22-15-4-1-13(2-5-15)19(31)29-9-7-12(8-10-29)16-6-3-14(18(30)28-20(26)27)11-17(16)21(23,24)25/h1-6,11-12H,7-10H2,(H4,26,27,28,30)
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| InChIKey |
VKFYSQSTERJHNR-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