General Information of the Compound
| Compound ID |
CP0469798
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| Compound Name |
4-[5-methyl-2-(2-methylprop-2-enyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C13H14N6
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| Molecular Weight |
254.297
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| Canonical SMILES |
CC(=C)Cn1nc(C)c(n1)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C13H14N6/c1-8(2)6-19-17-9(3)11(18-19)12-10-4-5-14-13(10)16-7-15-12/h4-5,7H,1,6H2,2-3H3,(H,14,15,16)
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| InChIKey |
AGVBYMJWMOKXLR-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