General Information of the Compound
| Compound ID |
CP0470438
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| Compound Name |
4-(1-benzoylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O2/c22-21(23,24)17-12-15(18(29)27-20(25)26)6-7-16(17)13-8-10-28(11-9-13)19(30)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H4,25,26,27,29)
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| InChIKey |
QSBOEASQKPQRPF-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