General Information of the Compound
| Compound ID |
CP0094565
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| Compound Name |
4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
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| Structure |
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| Formula |
C27H26Cl2F3N3O5S
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| Molecular Weight |
632.488
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| Canonical SMILES |
COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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| InChIKey |
PPEXQGGZFWGXPY-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