General Information of the Compound
| Compound ID |
CP0380387
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| Compound Name |
1,4:3,6-dianhydro-2-O-[4-[(3-bromo-2- methylphenyl)amino]-6- (methyloxy)quinazolin-7-yl]-5-O-methyl-L- iditol
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| Structure |
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| Formula |
C23H24BrN3O5
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| Molecular Weight |
502.365
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| Canonical SMILES |
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cccc(Br)c3C)c2cc1OC
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| InChI |
InChI=1S/C23H24BrN3O5/c1-12-14(24)5-4-6-15(12)27-23-13-7-17(28-2)18(8-16(13)25-11-26-23)32-20-10-31-21-19(29-3)9-30-22(20)21/h4-8,11,19-22H,9-10H2,1-3H3,(H,25,26,27)/t19-,20-,21+,22+/m0/s1
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| InChIKey |
GAKPIAPJVGZESM-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