General Information of the Compound
| Compound ID |
CP0487718
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(3aR,6aS)-2- methyloctahydrocyclopenta[c]pyrrol-5- yl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C23H24Cl2N4O2
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| Molecular Weight |
459.377
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1C[C@H]2CN(C)C[C@H]2C1
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| InChI |
InChI=1S/C23H24Cl2N4O2/c1-29-10-13-5-16(6-14(13)11-29)31-22-9-20-17(8-21(22)30-2)23(27-12-26-20)28-15-3-4-18(24)19(25)7-15/h3-4,7-9,12-14,16H,5-6,10-11H2,1-2H3,(H,26,27,28)/t13-,14+,16?
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| InChIKey |
DVEHRUCQBHJWFA-MZBDJJRSSA-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