General Information of the Compound
| Compound ID |
CP0515305
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| Compound Name |
1-(3,5-Dimethyl-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 |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
CN(Cc1cc(C)cc(C)c1)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
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| InChI |
InChI=1S/C29H31N3O2/c1-18-12-19(2)14-22(13-18)17-31(5)29(34)30-27-26(23-10-8-7-9-11-23)24-15-20(3)21(4)16-25(24)28(33)32(27)6/h7-16H,17H2,1-6H3,(H,30,34)
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| InChIKey |
CZPWZLLKNSCBBA-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