General Information of the Compound
| Compound ID |
CP0961560
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| Compound Name |
7-[({4-[(4-chlorophenyl)acetyl]morpholin-2-yl}methyl)oxy]-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C28H25Cl3N4O4
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| Molecular Weight |
587.891
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)Cc2ccc(Cl)cc2)CCO1
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| InChI |
InChI=1S/C28H25Cl3N4O4/c1-37-25-12-21-24(32-16-33-28(21)34-19-6-7-22(30)23(31)11-19)13-26(25)39-15-20-14-35(8-9-38-20)27(36)10-17-2-4-18(29)5-3-17/h2-7,11-13,16,20H,8-10,14-15H2,1H3,(H,32,33,34)
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| InChIKey |
XNWJPKXDERVJBQ-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