General Information of the Compound
| Compound ID |
CP0480389
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| Compound Name |
3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbonyl)-amino]-5-trifluoromethyl-benzoic acid hexyl ester
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| Structure |
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| Formula |
C20H18ClF6N3O3
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| Molecular Weight |
497.823
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| Canonical SMILES |
CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18ClF6N3O3/c1-2-3-4-5-6-33-17(32)11-7-12(19(22,23)24)9-13(8-11)29-16(31)14-10-28-18(21)30-15(14)20(25,26)27/h7-10H,2-6H2,1H3,(H,29,31)
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| InChIKey |
XVXKDOBLGHCVLT-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: PT06058, Cyclic AMP-dependent transcription factor ATF-1
Protein ID: PT01630, Nuclear factor NF-kappa-B p105 subunit