General Information of the Compound
| Compound ID |
CP0412899
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| Compound Name |
1-(1-(3-chlorobenzyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C28H26ClN3O2
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| Molecular Weight |
471.988
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| Canonical SMILES |
COc1ccc2C(Cc3cccc(Cl)c3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C28H26ClN3O2/c1-34-22-9-10-23-19(16-22)8-11-27(25(23)15-18-4-2-6-21(29)14-18)32-28(33)31-26-7-3-5-20-17-30-13-12-24(20)26/h2-7,9-10,12-14,16-17,25,27H,8,11,15H2,1H3,(H2,31,32,33)
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| InChIKey |
YXOZWAFCDLJIBZ-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