General Information of the Compound
| Compound ID |
CP0433163
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| Compound Name |
3-methyl-1-[2-[3-(1H-pyrazol-4-yl)phenyl]ethynyl]-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C20H13F3N4
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| Molecular Weight |
366.346
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cn[nH]c1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F3N4/c1-13-11-27-12-17(20(21,22)23)8-19(27)18(26-13)6-5-14-3-2-4-15(7-14)16-9-24-25-10-16/h2-4,7-12H,1H3,(H,24,25)
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| InChIKey |
INLWISZQEVWWKW-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