General Information of the Compound
| Compound ID |
CP0371747
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| Compound Name |
1-(1-(4-cyanobenzyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C29H26N4O2
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| Molecular Weight |
462.553
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| Canonical SMILES |
COc1ccc2C(Cc3ccc(cc3)C#N)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C29H26N4O2/c1-35-23-10-11-24-21(16-23)9-12-28(26(24)15-19-5-7-20(17-30)8-6-19)33-29(34)32-27-4-2-3-22-18-31-14-13-25(22)27/h2-8,10-11,13-14,16,18,26,28H,9,12,15H2,1H3,(H2,32,33,34)
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| InChIKey |
HVIMFCCKQDZURG-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