General Information of the Compound
| Compound ID |
CP0401988
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| Compound Name |
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]-3H-benzimidazol-5-yl]-2-methylpropanenitrile
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| Structure |
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| Formula |
C14H18N4O
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| Molecular Weight |
258.325
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| Canonical SMILES |
C[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C#N
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| InChI |
InChI=1S/C14H18N4O/c1-8(19)12(16)13-17-10-5-4-9(6-11(10)18-13)14(2,3)7-15/h4-6,8,12,19H,16H2,1-3H3,(H,17,18)/t8-,12+/m1/s1
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| InChIKey |
KUEXJRCKDURFOQ-PELKAZGASA-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