General Information of the Compound
| Compound ID |
CP0566218
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(4-methyl-1,4- diazepan-1-yl)methyl]-1,3-thiazol-2- yl}methyl)oxy]-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C26H28Cl2N6O2S
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| Molecular Weight |
559.523
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCCN(C)CC2)cs1
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| InChI |
InChI=1S/C26H28Cl2N6O2S/c1-33-6-3-7-34(9-8-33)13-18-15-37-25(31-18)14-36-24-12-22-19(11-23(24)35-2)26(30-16-29-22)32-17-4-5-20(27)21(28)10-17/h4-5,10-12,15-16H,3,6-9,13-14H2,1-2H3,(H,29,30,32)
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| InChIKey |
FMLKNZKLRJRZQJ-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