General Information of the Compound
| Compound ID |
CP0372941
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| Compound Name |
3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbonyl)-amino]-5-trifluoromethyl-benzoic acid diethoxy-phosphorylmethyl ester
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| Structure |
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| Formula |
C19H17ClF6N3O6P
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| Molecular Weight |
563.775
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| Canonical SMILES |
CCOP(=O)(COC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F)OCC
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| InChI |
InChI=1S/C19H17ClF6N3O6P/c1-3-34-36(32,35-4-2)9-33-16(31)10-5-11(18(21,22)23)7-12(6-10)28-15(30)13-8-27-17(20)29-14(13)19(24,25)26/h5-8H,3-4,9H2,1-2H3,(H,28,30)
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| InChIKey |
BVXAIUDGELYZPI-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