General Information of the Compound
| Compound ID |
CP0339627
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| Compound Name |
3-chloro-5-[(4S)-5,5-difluoro-4-hydroxy-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-1-yl]benzonitrile
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| Structure |
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| Formula |
C15H10ClF2NO3S2
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| Molecular Weight |
389.832
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| Canonical SMILES |
CS(=O)(=O)c1sc(c2CC(F)(F)[C@@H](O)c12)-c1cc(Cl)cc(c1)C#N
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| InChI |
InChI=1S/C15H10ClF2NO3S2/c1-24(21,22)14-11-10(5-15(17,18)13(11)20)12(23-14)8-2-7(6-19)3-9(16)4-8/h2-4,13,20H,5H2,1H3/t13-/m0/s1
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| InChIKey |
ODNKSLDGFCIXQD-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