General Information of the Compound
| Compound ID |
CP0371745
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| Compound Name |
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C28H27N3O2
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| Molecular Weight |
437.543
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| Canonical SMILES |
COc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C28H27N3O2/c1-33-22-11-12-23-20(17-22)10-13-27(25(23)16-19-6-3-2-4-7-19)31-28(32)30-26-9-5-8-21-18-29-15-14-24(21)26/h2-9,11-12,14-15,17-18,25,27H,10,13,16H2,1H3,(H2,30,31,32)
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| InChIKey |
HLMMYNCSAQLMGG-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