General Information of the Compound
| Compound ID |
CP0412889
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| Compound Name |
[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C19H17N3OS
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| Molecular Weight |
335.432
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C19H17N3OS/c1-14-11-22-12-16(19(23)21-7-2-3-8-21)10-18(22)17(20-14)5-4-15-6-9-24-13-15/h6,9-13H,2-3,7-8H2,1H3
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| InChIKey |
JSWWVKVEIOUATR-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