General Information of the Compound
| Compound ID |
CP0400033
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| Compound Name |
6-[(2,4-dichlorophenyl)methyl]-4-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H15Cl2N5
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| Molecular Weight |
408.292
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| Canonical SMILES |
Nc1nc(Nc2cccc(c2)C#C)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
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| InChI |
InChI=1S/C21H15Cl2N5/c1-2-12-4-3-5-15(8-12)25-19-17-11-16(26-20(17)28-21(24)27-19)9-13-6-7-14(22)10-18(13)23/h1,3-8,10-11H,9H2,(H4,24,25,26,27,28)
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| InChIKey |
ZCRINIKANCTMRT-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