General Information of the Compound
| Compound ID |
CP0483093
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| Compound Name |
(1S)-4-(3-chloro-5-fluorophenoxy)-7-(difluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C16H12ClF3O4S
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| Molecular Weight |
392.782
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| Canonical SMILES |
O[C@H]1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F
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| InChI |
InChI=1S/C16H12ClF3O4S/c17-8-5-9(18)7-10(6-8)24-13-3-4-14(25(22,23)16(19)20)15-11(13)1-2-12(15)21/h3-7,12,16,21H,1-2H2/t12-/m0/s1
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| InChIKey |
FJZLLSMTDQFRCS-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