General Information of the Compound
| Compound ID |
CP0390739
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| Compound Name |
4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]benzamide
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| Structure |
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| Formula |
C26H22Cl2F5N3O4S
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| Molecular Weight |
638.442
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCC(F)(F)C1
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| InChI |
InChI=1S/C26H22Cl2F5N3O4S/c27-17-3-8-23(22(13-17)35-41(38,39)19-6-7-21(28)20(14-19)26(31,32)33)40-18-4-1-16(2-5-18)24(37)34-10-12-36-11-9-25(29,30)15-36/h1-8,13-14,35H,9-12,15H2,(H,34,37)
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| InChIKey |
YYVCSHFGHNSUDA-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