General Information of the Compound
| Compound ID |
CP0467622
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| Compound Name |
1-Benzyl-1-ethyl-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 |
C28H29N3O2
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| Molecular Weight |
439.559
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
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| InChI |
InChI=1S/C28H29N3O2/c1-5-31(18-21-12-8-6-9-13-21)28(33)29-26-25(22-14-10-7-11-15-22)23-16-19(2)20(3)17-24(23)27(32)30(26)4/h6-17H,5,18H2,1-4H3,(H,29,33)
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| InChIKey |
GQZCKCNQGNTWQE-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