General Information of the Compound
| Compound ID |
CP0371746
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| Compound Name |
1-(1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C27H25N3O
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| Molecular Weight |
407.517
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| Canonical SMILES |
O=C(NC1CCc2ccccc2C1Cc1ccccc1)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C27H25N3O/c31-27(29-25-12-6-10-21-18-28-16-15-23(21)25)30-26-14-13-20-9-4-5-11-22(20)24(26)17-19-7-2-1-3-8-19/h1-12,15-16,18,24,26H,13-14,17H2,(H2,29,30,31)
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| InChIKey |
QEMYRXIETDRZCN-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