General Information of the Compound
| Compound ID |
CP0396971
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| Compound Name |
1-t-Butyl-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(c1=O)C(C)(C)C
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| InChI |
InChI=1S/C21H27N3O2/c1-21(2,3)24-17-13-9-8-12-16(17)23(20(24)26)19(18(25)14-22-4)15-10-6-5-7-11-15/h5-13,18-19,22,25H,14H2,1-4H3/t18-,19+/m1/s1
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| InChIKey |
IZHREGYJHUWQHR-MOPGFXCFSA-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