General Information of the Compound
| Compound ID |
CP0519371
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| Compound Name |
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-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(cn1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C21H20F3N5O3/c1-2-32-17-9-8-14(12-27-17)19(30)25-10-11-26-20(31)16-13-29(15-6-4-3-5-7-15)28-18(16)21(22,23)24/h3-9,12-13H,2,10-11H2,1H3,(H,25,30)(H,26,31)
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| InChIKey |
PBFHWAXLKCTDCS-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