General Information of the Compound
| Compound ID |
CP0250718
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| Compound Name |
4-[7-[(4-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C18H19FN4OS
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| Molecular Weight |
358.442
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| Canonical SMILES |
CSc1nc(N2CCOCC2)c2ccn(Cc3ccc(F)cc3)c2n1
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| InChI |
InChI=1S/C18H19FN4OS/c1-25-18-20-16(22-8-10-24-11-9-22)15-6-7-23(17(15)21-18)12-13-2-4-14(19)5-3-13/h2-7H,8-12H2,1H3
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| InChIKey |
QGGIXKZOWARZOR-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