General Information of the Compound
| Compound ID |
CP0535452
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| Compound Name |
4-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]benzonitrile
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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#Cc1ccc(cc1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C18H10F3N3/c1-12-10-24-11-15(18(19,20)21)8-17(24)16(23-12)7-6-13-2-4-14(9-22)5-3-13/h2-5,8,10-11H,1H3
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| InChIKey |
PTEJBESGYWXURX-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