General Information of the Compound
| Compound ID |
CP0538913
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| Compound Name |
1-[(1R,3S)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropyl]-2-methylsulfanyl-1H-imidazole
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| Structure |
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| Formula |
C17H20N2OS
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| Molecular Weight |
300.427
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| Canonical SMILES |
CSc1nccn1[C@@H]1[C@@H](c2cccc3OCCc23)C1(C)C
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| InChI |
InChI=1S/C17H20N2OS/c1-17(2)14(15(17)19-9-8-18-16(19)21-3)12-5-4-6-13-11(12)7-10-20-13/h4-6,8-9,14-15H,7,10H2,1-3H3/t14-,15-/m1/s1
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| InChIKey |
FFKCWNRIRDZDSA-HUUCEWRRSA-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