General Information of the Compound
| Compound ID |
CP0460917
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| Compound Name |
1-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C31H31N3O3
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| Molecular Weight |
493.607
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(NC(=O)Nc4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C31H31N3O3/c1-36-29-18-25-16-17-34(21-26(25)19-30(29)37-2)20-22-8-10-23(11-9-22)24-12-14-28(15-13-24)33-31(35)32-27-6-4-3-5-7-27/h3-15,18-19H,16-17,20-21H2,1-2H3,(H2,32,33,35)
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| InChIKey |
WETHSURQQQUTLN-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