General Information of the Compound
| Compound ID |
CP0464627
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| Compound Name |
1,4:3,6-dianhydro-2-O-[4-[(4-bromo-3- chlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]-5-O-ethyl-L-iditol
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| Structure |
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| Formula |
C23H23BrClN3O5
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| Molecular Weight |
536.81
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| Canonical SMILES |
CCO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC
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| InChI |
InChI=1S/C23H23BrClN3O5/c1-3-30-19-9-31-22-20(10-32-21(19)22)33-18-8-16-13(7-17(18)29-2)23(27-11-26-16)28-12-4-5-14(24)15(25)6-12/h4-8,11,19-22H,3,9-10H2,1-2H3,(H,26,27,28)/t19-,20-,21+,22+/m0/s1
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| InChIKey |
RVMLSAUWFLLGAT-FNAHDJPLSA-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