General Information of the Compound
| Compound ID |
CP0461306
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| Compound Name |
1-(2-Methoxy-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
COc1ccccc1CN(C)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
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| InChI |
InChI=1S/C28H29N3O3/c1-18-15-22-23(16-19(18)2)27(32)31(4)26(25(22)20-11-7-6-8-12-20)29-28(33)30(3)17-21-13-9-10-14-24(21)34-5/h6-16H,17H2,1-5H3,(H,29,33)
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| InChIKey |
HHZOEEMDINZDEC-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