General Information of the Compound
| Compound ID |
CP0401991
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| Compound Name |
(1R,2R)-1-amino-1-(6-tert-butyl-1H-benzimidazol-2-yl)propan-2-ol
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| Structure |
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| Formula |
C14H21N3O
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| Molecular Weight |
247.342
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| Canonical SMILES |
C[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C
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| InChI |
InChI=1S/C14H21N3O/c1-8(18)12(15)13-16-10-6-5-9(14(2,3)4)7-11(10)17-13/h5-8,12,18H,15H2,1-4H3,(H,16,17)/t8-,12+/m1/s1
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| InChIKey |
KDCSGTJITXKXPU-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