General Information of the Compound
| Compound ID |
CP0214989
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| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-7-[(4-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H20ClFN4S
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| Molecular Weight |
426.948
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| Canonical SMILES |
CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(Cc3ccc(F)cc3)c2n1
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| InChI |
InChI=1S/C22H20ClFN4S/c1-29-22-26-20(25-12-10-15-2-6-17(23)7-3-15)19-11-13-28(21(19)27-22)14-16-4-8-18(24)9-5-16/h2-9,11,13H,10,12,14H2,1H3,(H,25,26,27)
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| InChIKey |
WIHTVIAVTFAFHD-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