General Information of the Compound
| Compound ID |
CP0380391
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| Compound Name |
US9796704, Entry 216
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| Structure |
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| Formula |
C22H21Cl2N7O3
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| Molecular Weight |
502.362
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCNCC1
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| InChI |
InChI=1S/C22H21Cl2N7O3/c1-32-18-9-14-17(26-12-27-21(14)28-13-2-3-15(23)16(24)8-13)10-19(18)33-11-20-29-22(30-34-20)31-6-4-25-5-7-31/h2-3,8-10,12,25H,4-7,11H2,1H3,(H,26,27,28)
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| InChIKey |
XRTAZINADDFLOG-UHFFFAOYSA-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