General Information of the Compound
| Compound ID |
CP0430495
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| Compound Name |
(R)-2-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-ylsulfanyl]-propan-1-ol
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| Structure |
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| Formula |
C16H16F3NO3S2
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| Molecular Weight |
391.436
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| Canonical SMILES |
C[C@H](CO)Sc1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C16H16F3NO3S2/c1-10(9-21)24-15-14(7-12(8-20-15)16(17,18)19)11-3-5-13(6-4-11)25(2,22)23/h3-8,10,21H,9H2,1-2H3/t10-/m1/s1
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| InChIKey |
BFMZEGLJNQXWAI-SNVBAGLBSA-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