General Information of the Compound
| Compound ID |
CP0128578
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| Compound Name |
6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-N-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C31H31F3N6O2S
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| Molecular Weight |
608.69
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| Canonical SMILES |
COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
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| InChI |
InChI=1S/C31H31F3N6O2S/c1-39-11-13-40(14-12-39)10-3-15-42-27-18-24-23(17-26(27)41-2)29(36-19-35-24)37-22-7-4-20(5-8-22)30-38-25-16-21(31(32,33)34)6-9-28(25)43-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,35,36,37)
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| InChIKey |
PIQNNSKBFMKWGB-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: PT00883, Angiopoietin-1 receptor
Protein ID: PT01223, Aurora kinase B
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00925, Vascular endothelial growth factor receptor 3