General Information of the Compound
| Compound ID |
CP0893936
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| Compound Name |
2-[2-({[4-[(3,4-dichloropheyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholon-4-yl]-1-phenylethanone
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| Structure |
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| Formula |
C28H24Cl2N4O5
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| Molecular Weight |
567.429
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1OCCN(CC(=O)c2ccccc2)C1=O
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| InChI |
InChI=1S/C28H24Cl2N4O5/c1-37-24-12-19-22(31-16-32-27(19)33-18-7-8-20(29)21(30)11-18)13-25(24)39-15-26-28(36)34(9-10-38-26)14-23(35)17-5-3-2-4-6-17/h2-8,11-13,16,26H,9-10,14-15H2,1H3,(H,31,32,33)
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| InChIKey |
TYDHEVOVJOWAEX-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