General Information of the Compound
| Compound ID |
CP0422666
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| Compound Name |
4-[2-(3,7-dimethylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]benzonitrile
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| Structure |
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| Formula |
C18H13N3
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| Molecular Weight |
271.323
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| Canonical SMILES |
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H13N3/c1-13-9-18-17(20-14(2)12-21(18)11-13)8-7-15-3-5-16(10-19)6-4-15/h3-6,9,11-12H,1-2H3
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| InChIKey |
CYCNWRDJEDKKSO-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