General Information of the Compound
| Compound ID |
CP0408031
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| Compound Name |
3-methyl-1-[2-(3-thiophen-3-ylphenyl)ethynyl]-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C21H13F3N2S
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| Molecular Weight |
382.41
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1ccsc1)C(F)(F)F
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| InChI |
InChI=1S/C21H13F3N2S/c1-14-11-26-12-18(21(22,23)24)10-20(26)19(25-14)6-5-15-3-2-4-16(9-15)17-7-8-27-13-17/h2-4,7-13H,1H3
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| InChIKey |
SHBDYYCOXQPNIW-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