General Information of the Compound
| Compound ID |
CP0380389
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| Compound Name |
7-[(2-cyclohexylethyl)oxy]-N-(3,4- dichlorophenyl)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C23H25Cl2N3O2
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| Molecular Weight |
446.378
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CCCCC1
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| InChI |
InChI=1S/C23H25Cl2N3O2/c1-29-21-12-17-20(13-22(21)30-10-9-15-5-3-2-4-6-15)26-14-27-23(17)28-16-7-8-18(24)19(25)11-16/h7-8,11-15H,2-6,9-10H2,1H3,(H,26,27,28)
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| InChIKey |
WYZCWZRHCBLLRQ-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