General Information of the Compound
| Compound ID |
CP0969908
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| Compound Name |
(S)-4-(3-(2,6-dichlorophenoxy)pyrrolidin-1-ylsulfonyl)-2-fluoro-N-(thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H16Cl2FN3O5S3
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| Molecular Weight |
552.458
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CC[C@H](Oc3c(Cl)cccc3Cl)C2)cc1F
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| InChI |
InChI=1S/C19H16Cl2FN3O5S3/c20-14-2-1-3-15(21)18(14)30-12-6-8-25(11-12)33(28,29)13-4-5-17(16(22)10-13)32(26,27)24-19-23-7-9-31-19/h1-5,7,9-10,12H,6,8,11H2,(H,23,24)/t12-/m0/s1
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| InChIKey |
JXTKJCDUUYOZQL-LBPRGKRZSA-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