General Information of the Compound
| Compound ID |
CP0516480
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| Compound Name |
6-chloro-4-[(4S)-5,5-difluoro-4-hydroxy-3-methylsulfonyl-6,7-dihydro-4H-2-benzothiophen-1-yl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C15H11ClF2N2O3S2
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| Molecular Weight |
404.847
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| Canonical SMILES |
CS(=O)(=O)c1sc(c2CCC(F)(F)[C@@H](O)c12)-c1cc(Cl)nc(c1)C#N
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| InChI |
InChI=1S/C15H11ClF2N2O3S2/c1-25(22,23)14-11-9(2-3-15(17,18)13(11)21)12(24-14)7-4-8(6-19)20-10(16)5-7/h4-5,13,21H,2-3H2,1H3/t13-/m0/s1
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| InChIKey |
NNGUTMALIFNSPA-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