General Information of the Compound
| Compound ID |
CP0374309
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| Compound Name |
1-(4-Chlorophenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H20ClF3N4O3
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| Molecular Weight |
480.874
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20ClF3N4O3/c1-2-33-17-9-3-14(4-10-17)20(31)27-11-12-28-21(32)18-13-30(29-19(18)22(24,25)26)16-7-5-15(23)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
NJZJNSBOGYALCY-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