General Information of the Compound
| Compound ID |
CP0457593
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| Compound Name |
3-methyl-1-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethynyl]-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C21H15F3N4
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| Molecular Weight |
380.373
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cnn(C)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N4/c1-14-11-28-13-18(21(22,23)24)9-20(28)19(26-14)7-6-15-4-3-5-16(8-15)17-10-25-27(2)12-17/h3-5,8-13H,1-2H3
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| InChIKey |
QYUSFCARADWBKN-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