General Information of the Compound
| Compound ID |
CP0895616
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H24Cl2N6O2S
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| Molecular Weight |
531.469
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(N2CCN(C)CC2)n1
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| InChI |
InChI=1S/C24H24Cl2N6O2S/c1-31-5-7-32(8-6-31)24-30-16(13-35-24)12-34-22-11-20-17(10-21(22)33-2)23(28-14-27-20)29-15-3-4-18(25)19(26)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,28,29)
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| InChIKey |
OGSIXPVUAMTENQ-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
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2