General Information of the Compound
| Compound ID |
CP0497302
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| Compound Name |
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H23F3N4O3
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| Molecular Weight |
460.456
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1C(F)(F)F
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| InChI |
InChI=1S/C23H23F3N4O3/c1-2-33-18-10-8-17(9-11-18)21(31)27-12-13-28-22(32)19-15-30(29-20(19)23(24,25)26)14-16-6-4-3-5-7-16/h3-11,15H,2,12-14H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
SGLMOWCZICJTQK-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1