General Information of the Compound
| Compound ID |
CP0164268
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| Compound Name |
6-[4-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-2-yl]hexanenitrile
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| Structure |
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| Formula |
C15H17N7
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| Molecular Weight |
295.35
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| Canonical SMILES |
Cc1nn(CCCCCC#N)nc1-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C15H17N7/c1-11-13(14-12-6-8-17-15(12)19-10-18-14)21-22(20-11)9-5-3-2-4-7-16/h6,8,10H,2-5,9H2,1H3,(H,17,18,19)
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| InChIKey |
WOKPNCSSKYPJSD-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