General Information of the Compound
| Compound ID |
CP0572217
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| Compound Name |
(4S)-1-(2,6-difluoropyridin-4-yl)-5,5-difluoro-3-methylsulfonyl-6,7-dihydro-4H-2-benzothiophen-4-ol
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| Structure |
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| Formula |
C14H11F4NO3S2
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| Molecular Weight |
381.372
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| Canonical SMILES |
CS(=O)(=O)c1sc(c2CCC(F)(F)[C@@H](O)c12)-c1cc(F)nc(F)c1
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| InChI |
InChI=1S/C14H11F4NO3S2/c1-24(21,22)13-10-7(2-3-14(17,18)12(10)20)11(23-13)6-4-8(15)19-9(16)5-6/h4-5,12,20H,2-3H2,1H3/t12-/m0/s1
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| InChIKey |
PMBOADLKYSYKKH-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