General Information of the Compound
| Compound ID |
CP0870274
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| Compound Name |
1,4:3,6-dianhydro-5-O-[4-[(4-bromo-3-chlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]-2-deoxy-2-morpholin-4-yl-L-iditol
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| Structure |
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| Formula |
C25H26BrClN4O5
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| Molecular Weight |
577.863
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1CCOCC1
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| InChI |
InChI=1S/C25H26BrClN4O5/c1-32-20-9-15-18(28-13-29-25(15)30-14-2-3-16(26)17(27)8-14)10-21(20)36-22-12-35-23-19(11-34-24(22)23)31-4-6-33-7-5-31/h2-3,8-10,13,19,22-24H,4-7,11-12H2,1H3,(H,28,29,30)/t19-,22-,23+,24+/m0/s1
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| InChIKey |
UPTQFQIWDCTNMU-ZMUKGBGYSA-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