General Information of the Compound
| Compound ID |
CP0334666
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| Compound Name |
4-[[(3aS,7aR)-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyran-3a-yl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C17H19ClFN3O4S2
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| Molecular Weight |
447.941
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| Canonical SMILES |
Fc1cc(NC[C@]23CCO[C@H]2OCCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C17H19ClFN3O4S2/c18-11-8-14(28(23,24)22-16-20-4-7-27-16)12(19)9-13(11)21-10-17-2-1-5-25-15(17)26-6-3-17/h4,7-9,15,21H,1-3,5-6,10H2,(H,20,22)/t15-,17+/m1/s1
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| InChIKey |
HGFKQJPTFSAUJM-WBVHZDCISA-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