General Information of the Compound
| Compound ID |
CP0964045
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| Compound Name |
N-(3,4-dichlorophenyl)7-{[(1,4-diethylpiperazin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H29Cl2N5O2
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| Molecular Weight |
490.435
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| Canonical SMILES |
CCN1CCN(CC)C(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C24H29Cl2N5O2/c1-4-30-8-9-31(5-2)17(13-30)14-33-23-12-21-18(11-22(23)32-3)24(28-15-27-21)29-16-6-7-19(25)20(26)10-16/h6-7,10-12,15,17H,4-5,8-9,13-14H2,1-3H3,(H,27,28,29)
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| InChIKey |
SHQDTJIUTBSGPO-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