General Information of the Compound
| Compound ID |
CP0528871
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| Compound Name |
5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropyl]-1H-imidazole
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| Structure |
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| Formula |
C16H18N2O
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| Molecular Weight |
254.333
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| Canonical SMILES |
CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1cnc[nH]1
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| InChI |
InChI=1S/C16H18N2O/c1-16(2)14(15(16)12-8-17-9-18-12)11-4-3-5-13-10(11)6-7-19-13/h3-5,8-9,14-15H,6-7H2,1-2H3,(H,17,18)/t14-,15-/m1/s1
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| InChIKey |
BAMXLHIZNZVKAI-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