General Information of the Compound
| Compound ID |
CP0422672
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| Compound Name |
1-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-3-ethylurea
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C27H31N3O3/c1-4-28-27(31)29-24-11-9-21(10-12-24)20-7-5-19(6-8-20)17-30-14-13-22-15-25(32-2)26(33-3)16-23(22)18-30/h5-12,15-16H,4,13-14,17-18H2,1-3H3,(H2,28,29,31)
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| InChIKey |
RVSOBUJTMLNHPS-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