General Information of the Compound
| Compound ID |
CP0964950
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| Compound Name |
(R)-4-(2-(2-amino-4-methylpentyl)-1H-imidazol-4-yl)benzonitrile
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| Structure |
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| Formula |
C16H20N4
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| Molecular Weight |
268.364
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| Canonical SMILES |
CC(C)C[C@@H](N)Cc1nc(-c2ccc(C#N)cc2)c[nH]1
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| InChI |
InChI=1S/C16H20N4/c1-11(2)7-14(18)8-16-19-10-15(20-16)13-5-3-12(9-17)4-6-13/h3-6,10-11,14H,7-8,18H2,1-2H3,(H,19,20)/t14-/m1/s1
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| InChIKey |
MBZOSOYJJTWBJY-CQSZACIVSA-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