General Information of the Compound
| Compound ID |
CP0538078
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| Compound Name |
4-[5-methyl-2-(3-methylbut-2-enyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C14H16N6
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| Molecular Weight |
268.324
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| Canonical SMILES |
CC(C)=CCn1nc(C)c(n1)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C14H16N6/c1-9(2)5-7-20-18-10(3)12(19-20)13-11-4-6-15-14(11)17-8-16-13/h4-6,8H,7H2,1-3H3,(H,15,16,17)
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| InChIKey |
WRDDYJVZYXZJFM-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