General Information of the Compound
| Compound ID |
CP0247129
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| Compound Name |
N-(3-chlorophenyl)-7-(2-chloro-2-phenylethyl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H18Cl2N4S
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| Molecular Weight |
429.376
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| Canonical SMILES |
CSc1nc(Nc2cccc(Cl)c2)c2ccn(CC(Cl)c3ccccc3)c2n1
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| InChI |
InChI=1S/C21H18Cl2N4S/c1-28-21-25-19(24-16-9-5-8-15(22)12-16)17-10-11-27(20(17)26-21)13-18(23)14-6-3-2-4-7-14/h2-12,18H,13H2,1H3,(H,24,25,26)
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| InChIKey |
HEQUCPJVTDYAJV-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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01237, Tyrosine-protein kinase Fyn