General Information of the Compound
| Compound ID |
CP0433159
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| Compound Name |
3-methyl-1-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C18H10F3N3
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| Molecular Weight |
325.293
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C#N
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| InChI |
InChI=1S/C18H10F3N3/c1-12-10-24-11-14(9-22)8-17(24)16(23-12)6-5-13-3-2-4-15(7-13)18(19,20)21/h2-4,7-8,10-11H,1H3
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| InChIKey |
FOBUWPBEGIITGQ-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