General Information of the Compound
| Compound ID |
CP0516476
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| Compound Name |
3-methyl-7-(trifluoromethyl)-1-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C18H10F6N2
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| Molecular Weight |
368.28
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H10F6N2/c1-11-9-26-10-14(18(22,23)24)8-16(26)15(25-11)6-5-12-3-2-4-13(7-12)17(19,20)21/h2-4,7-10H,1H3
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| InChIKey |
GSJOCESXZQRMTF-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