General Information of the Compound
| Compound ID |
CP0273579
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| Compound Name |
N-[(3,4-dimethoxyphenyl)methyl]-1-phenylbenzimidazol-5-amine
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
COc1ccc(CNc2ccc3n(cnc3c2)-c2ccccc2)cc1OC
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| InChI |
InChI=1S/C22H21N3O2/c1-26-21-11-8-16(12-22(21)27-2)14-23-17-9-10-20-19(13-17)24-15-25(20)18-6-4-3-5-7-18/h3-13,15,23H,14H2,1-2H3
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| InChIKey |
OOKFRASIHFMNAG-UHFFFAOYSA-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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