General Information of the Compound
| Compound ID |
CP0565364
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| Compound Name |
(4S)-5,5-difluoro-3-methylsulfonyl-1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6,7-dihydro-4H-2-benzothiophen-4-ol
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| Structure |
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| Formula |
C14H13F5N2O3S2
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| Molecular Weight |
416.393
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| Canonical SMILES |
Cn1nc(cc1-c1sc(c2[C@H](O)C(F)(F)CCc12)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C14H13F5N2O3S2/c1-21-7(5-8(20-21)14(17,18)19)10-6-3-4-13(15,16)11(22)9(6)12(25-10)26(2,23)24/h5,11,22H,3-4H2,1-2H3/t11-/m0/s1
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| InChIKey |
QFZKXBTWZMBVOS-NSHDSACASA-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