General Information of the Compound
| Compound ID |
CP0493546
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| Compound Name |
6-[(2,4-dichlorophenyl)methyl]-4-N-(4-propan-2-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H21Cl2N5
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| Molecular Weight |
426.351
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| Canonical SMILES |
CC(C)c1ccc(Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)cc1
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| InChI |
InChI=1S/C22H21Cl2N5/c1-12(2)13-4-7-16(8-5-13)26-20-18-11-17(27-21(18)29-22(25)28-20)9-14-3-6-15(23)10-19(14)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29)
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| InChIKey |
OYHNIEXIHBTFGE-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: PT00922, Epidermal growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2