General Information of the Compound
| Compound ID |
CP0214987
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| Compound Name |
N-butyl-7-[(4-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C18H21FN4S
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| Molecular Weight |
344.459
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| Canonical SMILES |
CCCCNc1nc(SC)nc2n(Cc3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C18H21FN4S/c1-3-4-10-20-16-15-9-11-23(17(15)22-18(21-16)24-2)12-13-5-7-14(19)8-6-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22)
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| InChIKey |
FQVMTUKCTPYSEC-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