General Information of the Compound
| Compound ID |
CP0363175
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| Compound Name |
4-[2-(cyclopentylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C15H18N6
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| Molecular Weight |
282.351
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| Canonical SMILES |
Cc1nn(CC2CCCC2)nc1-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C15H18N6/c1-10-13(14-12-6-7-16-15(12)18-9-17-14)20-21(19-10)8-11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3,(H,16,17,18)
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| InChIKey |
AMQAEOAHHYUBRJ-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