General Information of the Compound
| Compound ID |
CP0509901
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({4- [(4-methylpiperazin-1-yl)methyl]-1,3-thiazol- 2-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C25H26Cl2N6O2S
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| Molecular Weight |
545.496
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCN(C)CC2)cs1
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| InChI |
InChI=1S/C25H26Cl2N6O2S/c1-32-5-7-33(8-6-32)12-17-14-36-24(30-17)13-35-23-11-21-18(10-22(23)34-2)25(29-15-28-21)31-16-3-4-19(26)20(27)9-16/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,28,29,31)
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| InChIKey |
AYWUHPUXKGVOSD-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