General Information of the Compound
| Compound ID |
CP0472122
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| Compound Name |
1-[(1S,2R)-2-Hydroxy-3-(methylamino)-1-phenylpropyl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C18H21N3O2/c1-19-12-16(22)17(13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)20(2)18(21)23/h3-11,16-17,19,22H,12H2,1-2H3/t16-,17+/m1/s1
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| InChIKey |
WFCCOUNTGTUDOI-SJORKVTESA-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