General Information of the Compound
| Compound ID |
CP0078631
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| Compound Name |
4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imidazole
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| Synonyms |
5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole
Cipralisant
Cipralisant [INN]
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| Structure |
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| Formula |
C14H20N2
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| Molecular Weight |
216.328
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| Canonical SMILES |
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
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| InChI |
InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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| InChIKey |
CVKJAXCQPFOAIN-VXGBXAGGSA-N
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| CAS |
213027-19-1
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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
Clinical Information about the Compound