General Information of the Compound
| Compound ID |
CP0422871
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| Compound Name |
1-pentyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-amine;hydrochloride
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| Formula |
C15H19ClF3N3
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| Molecular Weight |
333.785
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| Canonical SMILES |
Cl.CCCCCn1cc(nc1N)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C15H18F3N3.ClH/c1-2-3-6-9-21-10-13(20-14(21)19)11-7-4-5-8-12(11)15(16,17)18;/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,19,20);1H
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| InChIKey |
WFUYCKYXYGCNBN-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