General Information of the Compound
| Compound ID |
CP0473225
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(4-hex-5-en-1- ylmorpholin-2-yl)methyl]oxy}-6- (methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H30Cl2N4O3
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| Molecular Weight |
517.457
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCC=C)CCO1
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| InChI |
InChI=1S/C26H30Cl2N4O3/c1-3-4-5-6-9-32-10-11-34-19(15-32)16-35-25-14-23-20(13-24(25)33-2)26(30-17-29-23)31-18-7-8-21(27)22(28)12-18/h3,7-8,12-14,17,19H,1,4-6,9-11,15-16H2,2H3,(H,29,30,31)
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| InChIKey |
ZQCZQQPQOHFPCA-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