General Information of the Compound
| Compound ID |
CP0468537
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| Compound Name |
1,4:3,6-dianhydro-5-deoxy-5-({[4-[(3,4- dichlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]oxy}methyl)-2-O- methyl-D-glucitol
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| Structure |
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| Formula |
C23H23Cl2N3O5
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| Molecular Weight |
492.359
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| Canonical SMILES |
CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@H]12
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| InChI |
InChI=1S/C23H23Cl2N3O5/c1-29-18-6-14-17(26-11-27-23(14)28-13-3-4-15(24)16(25)5-13)7-19(18)31-8-12-9-32-22-20(30-2)10-33-21(12)22/h3-7,11-12,20-22H,8-10H2,1-2H3,(H,26,27,28)/t12-,20+,21-,22-/m1/s1
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| InChIKey |
VENHPOQTVRCHJV-JXBRRONGSA-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2