General Information of the Compound
| Compound ID |
CP0532498
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| Compound Name |
(1R,2R)-2-methoxy-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]propan-1-amine
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| Structure |
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| Formula |
C12H14F3N3O2
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| Molecular Weight |
289.257
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| Canonical SMILES |
CO[C@H](C)[C@H](N)c1nc2cc(OC(F)(F)F)ccc2[nH]1
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| InChI |
InChI=1S/C12H14F3N3O2/c1-6(19-2)10(16)11-17-8-4-3-7(5-9(8)18-11)20-12(13,14)15/h3-6,10H,16H2,1-2H3,(H,17,18)/t6-,10+/m1/s1
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| InChIKey |
PLOJXKATHCNPCD-LDWIPMOCSA-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