General Information of the Compound
| Compound ID |
CP0462722
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| Compound Name |
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H20F3N5O3
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| Molecular Weight |
447.417
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccccn1
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| InChI |
InChI=1S/C21H20F3N5O3/c1-2-32-15-8-6-14(7-9-15)19(30)26-11-12-27-20(31)16-13-29(17-5-3-4-10-25-17)28-18(16)21(22,23)24/h3-10,13H,2,11-12H2,1H3,(H,26,30)(H,27,31)
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| InChIKey |
DVIVYBXEYFCOEC-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1