General Information of the Compound
| Compound ID |
CP0532497
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| Compound Name |
(1R,2R)-1-amino-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-2-ol
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| Structure |
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| Formula |
C13H19N3O
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| Molecular Weight |
233.315
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| Canonical SMILES |
CC(C)c1ccc2[nH]c(nc2c1)[C@@H](N)[C@@H](C)O
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| InChI |
InChI=1S/C13H19N3O/c1-7(2)9-4-5-10-11(6-9)16-13(15-10)12(14)8(3)17/h4-8,12,17H,14H2,1-3H3,(H,15,16)/t8-,12+/m1/s1
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| InChIKey |
DGHNWZJTTIQFIJ-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