General Information of the Compound
| Compound ID |
CP0460544
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| Compound Name |
N-(3-methylbutyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H27F3N4O2
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| Molecular Weight |
448.489
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| Canonical SMILES |
CC(C)CCNC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N4O2/c1-16(2)9-10-27-21(31)17-7-8-20(28-15-17)29-11-13-30(14-12-29)22(32)18-5-3-4-6-19(18)23(24,25)26/h3-8,15-16H,9-14H2,1-2H3,(H,27,31)
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| InChIKey |
LAWDPDZBMWSSLX-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