General Information of the Compound
| Compound ID |
CP0869470
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| Compound Name |
7-({[4-(1,3-benzodioxol-5-ylcarbonyl)morpholin-2-yl]methyl}oxy)-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C28H24Cl2N4O6
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| Molecular Weight |
583.428
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)c2ccc3c(c2)OCO3)CCO1
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| InChI |
InChI=1S/C28H24Cl2N4O6/c1-36-24-10-19-22(31-14-32-27(19)33-17-3-4-20(29)21(30)9-17)11-26(24)38-13-18-12-34(6-7-37-18)28(35)16-2-5-23-25(8-16)40-15-39-23/h2-5,8-11,14,18H,6-7,12-13,15H2,1H3,(H,31,32,33)
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| InChIKey |
CPDVUYTVYREKJG-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