General Information of the Compound
| Compound ID |
CP0485362
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| Compound Name |
1-(1-(4-methoxybenzyl)-6-methoxy-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 |
COc1ccc(CC2C(CCc3cc(OC)ccc23)NC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C29H29N3O3/c1-34-22-9-6-19(7-10-22)16-26-24-12-11-23(35-2)17-20(24)8-13-28(26)32-29(33)31-27-5-3-4-21-18-30-15-14-25(21)27/h3-7,9-12,14-15,17-18,26,28H,8,13,16H2,1-2H3,(H2,31,32,33)
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| InChIKey |
FFNSSAROKQYYJN-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