General Information of the Compound
| Compound ID |
CP0058070
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| Compound Name |
1-(2,3-dichlorophenyl)-3-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]urea
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| Structure |
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| Formula |
C24H19Cl2N3O2
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| Molecular Weight |
452.341
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12
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| InChI |
InChI=1S/C24H19Cl2N3O2/c1-31-17-5-2-4-15(12-17)18-9-8-16(20-14-27-11-10-19(18)20)13-28-24(30)29-22-7-3-6-21(25)23(22)26/h2-12,14H,13H2,1H3,(H2,28,29,30)
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| InChIKey |
MGYPXUREAAPVPW-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