General Information of the Compound
| Compound ID |
CP0388541
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| Compound Name |
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
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| Synonyms |
PMID25656651-Compound-20b
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| Structure |
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| Formula |
C18H15F3N4O3S
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| Molecular Weight |
424.404
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
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| InChI |
InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
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| InChIKey |
IQTSERMRWSERDI-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
Clinical Information about the Compound
Drug 1 ( PMID25656651-Compound-20b )
| Drug Name | PMID25656651-Compound-20b | ||
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| Company | IRM LLC DING, Qiang SIM, Tae-bo ZHANG, Guobao ADRIAN, Francisco GRAY, Nathanael, S | ||