General Information of the Compound
| Compound ID |
CP0914962
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| Compound Name |
(S)-2-fluoro-N-(thiazol-2-yl)-4-(3-(5-(trifluoromethyl)pyridin-2-yloxy)pyrrolidin-1-ylsulfonyl)benzenesulfonamide
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| Structure |
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| Formula |
C19H16F4N4O5S3
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| Molecular Weight |
552.553
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1F
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| InChI |
InChI=1S/C19H16F4N4O5S3/c20-15-9-14(2-3-16(15)34(28,29)26-18-24-6-8-33-18)35(30,31)27-7-5-13(11-27)32-17-4-1-12(10-25-17)19(21,22)23/h1-4,6,8-10,13H,5,7,11H2,(H,24,26)/t13-/m0/s1
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| InChIKey |
OPMXDDWXEVOCNS-ZDUSSCGKSA-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