General Information of the Compound
| Compound ID |
CP0554857
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| Compound Name |
(2R)-2-amino-2-(6-butan-2-yl-1H-benzimidazol-2-yl)ethanol
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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 |
CCC(C)c1ccc2[nH]c(nc2c1)[C@@H](N)CO
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| InChI |
InChI=1S/C13H19N3O/c1-3-8(2)9-4-5-11-12(6-9)16-13(15-11)10(14)7-17/h4-6,8,10,17H,3,7,14H2,1-2H3,(H,15,16)/t8?,10-/m0/s1
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| InChIKey |
SPDBJNQAYWPQFW-HTLJXXAVSA-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