General Information of the Compound
| Compound ID |
CP0412389
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| Compound Name |
1-(1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
COc1cc2CCC(NC(=O)Nc3cccc4cnccc34)C(Cc3ccccc3)c2cc1OC
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| InChI |
InChI=1S/C29H29N3O3/c1-34-27-16-20-11-12-26(24(23(20)17-28(27)35-2)15-19-7-4-3-5-8-19)32-29(33)31-25-10-6-9-21-18-30-14-13-22(21)25/h3-10,13-14,16-18,24,26H,11-12,15H2,1-2H3,(H2,31,32,33)
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| InChIKey |
MQYUBTNIICFEKB-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