General Information of the Compound
| Compound ID |
CP0502365
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| Compound Name |
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H25F3N4O4
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| Molecular Weight |
490.482
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1cccc(OCC)c1
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| InChI |
InChI=1S/C24H25F3N4O4/c1-3-34-18-10-8-16(9-11-18)22(32)28-12-13-29-23(33)20-15-31(30-21(20)24(25,26)27)17-6-5-7-19(14-17)35-4-2/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,28,32)(H,29,33)
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| InChIKey |
PDEPDVKYOQSNRQ-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