General Information of the Compound
| Compound ID |
CP0431495
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| Compound Name |
1-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]-3-ethylurea
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
CCNC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
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| InChI |
InChI=1S/C21H27N3O2/c1-3-22-21(25)23-14-17-12-13-18-19(10-7-11-20(18)26-2)24(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)
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| InChIKey |
BIRNOEALVWVAKS-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