General Information of the Compound
| Compound ID |
CP0538342
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| Compound Name |
1-Benzyl-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 |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
Cc1cc2c(-c3ccccc3)c(NC(=O)NCc3ccccc3)n(C)c(=O)c2cc1C
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| InChI |
InChI=1S/C26H25N3O2/c1-17-14-21-22(15-18(17)2)25(30)29(3)24(23(21)20-12-8-5-9-13-20)28-26(31)27-16-19-10-6-4-7-11-19/h4-15H,16H2,1-3H3,(H2,27,28,31)
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| InChIKey |
LNWVULAAXPQART-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