General Information of the Compound
| Compound ID |
CP0534112
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| Compound Name |
4-(1-butanoylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C18H23F3N4O2
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| Molecular Weight |
384.402
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
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| InChI |
InChI=1S/C18H23F3N4O2/c1-2-3-15(26)25-8-6-11(7-9-25)13-5-4-12(16(27)24-17(22)23)10-14(13)18(19,20)21/h4-5,10-11H,2-3,6-9H2,1H3,(H4,22,23,24,27)
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| InChIKey |
NKKVGMALGGLPHE-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