General Information of the Compound
| Compound ID |
CP0226387
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| Compound Name |
4-(5-methyl-2-prop-2-enyltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C12H12N6
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| Molecular Weight |
240.27
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| Canonical SMILES |
Cc1nn(CC=C)nc1-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C12H12N6/c1-3-6-18-16-8(2)10(17-18)11-9-4-5-13-12(9)15-7-14-11/h3-5,7H,1,6H2,2H3,(H,13,14,15)
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| InChIKey |
RAAWBVZNXWCLCG-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