General Information of the Compound
| Compound ID |
CP0440000
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| Compound Name |
5-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-1,3-dihydrobenzimidazol-2-one
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc4[nH]c(=O)[nH]c4c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H25N3O3/c1-30-23-12-19-9-10-28(15-20(19)13-24(23)31-2)14-16-3-5-17(6-4-16)18-7-8-21-22(11-18)27-25(29)26-21/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,26,27,29)
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| InChIKey |
IDHWWNQNFGCFHL-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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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