General Information of the Compound
| Compound ID |
CP0942614
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| Compound Name |
7-{[(4-acetyl-1-ethylpiperazin-2-yl)methyl]oxy}-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H27Cl2N5O3
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| Molecular Weight |
504.418
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| Canonical SMILES |
CCN1CCN(C(C)=O)CC1COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC
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| InChI |
InChI=1S/C24H27Cl2N5O3/c1-4-30-7-8-31(15(2)32)12-17(30)13-34-23-11-21-18(10-22(23)33-3)24(28-14-27-21)29-16-5-6-19(25)20(26)9-16/h5-6,9-11,14,17H,4,7-8,12-13H2,1-3H3,(H,27,28,29)
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| InChIKey |
YGRIEMSMFNEFKK-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