General Information of the Compound
| Compound ID |
CP0113832
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| Compound Name |
7-[(4-fluorophenyl)methyl]-2-methylsulfanyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C19H21FN4S
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| Molecular Weight |
356.47
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| Canonical SMILES |
CSc1nc(N2CCCCC2)c2ccn(Cc3ccc(F)cc3)c2n1
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| InChI |
InChI=1S/C19H21FN4S/c1-25-19-21-17(23-10-3-2-4-11-23)16-9-12-24(18(16)22-19)13-14-5-7-15(20)8-6-14/h5-9,12H,2-4,10-11,13H2,1H3
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| InChIKey |
WCTJLMVSZAACPV-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