General Information of the Compound
| Compound ID |
CP0433167
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| Compound Name |
3,7-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C18H13F3N2
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| Molecular Weight |
314.31
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| Canonical SMILES |
Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H13F3N2/c1-12-9-17-16(22-13(2)11-23(17)10-12)8-5-14-3-6-15(7-4-14)18(19,20)21/h3-4,6-7,9-11H,1-2H3
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| InChIKey |
FIBDJATYDSGBNS-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