General Information of the Compound
| Compound ID |
CP0119014
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| Compound Name |
N-benzyl-7-(2-chloro-2-phenylethyl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H21ClN4S
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| Molecular Weight |
408.958
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| Canonical SMILES |
CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
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| InChI |
InChI=1S/C22H21ClN4S/c1-28-22-25-20(24-14-16-8-4-2-5-9-16)18-12-13-27(21(18)26-22)15-19(23)17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3,(H,24,25,26)
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| InChIKey |
PWYVDKFGQPXXFX-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