General Information of the Compound
| Compound ID |
CP0422687
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| Compound Name |
1-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-3-methylurea
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C26H29N3O3/c1-27-26(30)28-23-10-8-20(9-11-23)19-6-4-18(5-7-19)16-29-13-12-21-14-24(31-2)25(32-3)15-22(21)17-29/h4-11,14-15H,12-13,16-17H2,1-3H3,(H2,27,28,30)
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| InChIKey |
APQJMFQVGOJLPM-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