General Information of the Compound
| Compound ID |
CP0517742
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| Compound Name |
1-[2-(4-cyanophenyl)phenyl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C18H15NO2S
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| Molecular Weight |
309.39
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccccc1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H15NO2S/c19-12-13-6-8-14(9-7-13)15-4-1-2-5-16(15)22-18(17(20)21)10-3-11-18/h1-2,4-9H,3,10-11H2,(H,20,21)
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| InChIKey |
OIUDKQVKWFCUKR-UHFFFAOYSA-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