General Information of the Compound
| Compound ID |
CP0910947
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| Compound Name |
1-Phenyl-N-[2-({[4-(1H-pyrazol-1-yl)phenyl]carbonyl}amino)ethyl]-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C23H20ClF3N6O2
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| Molecular Weight |
504.9
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| Canonical SMILES |
Cl.O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(-n2cccn2)cc1
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| InChI |
InChI=1S/C23H19F3N6O2.ClH/c24-23(25,26)20-19(15-32(30-20)17-5-2-1-3-6-17)22(34)28-13-12-27-21(33)16-7-9-18(10-8-16)31-14-4-11-29-31;/h1-11,14-15H,12-13H2,(H,27,33)(H,28,34);1H
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| InChIKey |
VRQBMCXBIWAJIL-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