General Information of the Compound
| Compound ID |
CP0464876
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| Compound Name |
(3,3-difluoropyrrolidin-1-yl)-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C19H15F2N3OS
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| Molecular Weight |
371.412
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCC(F)(F)C1
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| InChI |
InChI=1S/C19H15F2N3OS/c1-13-9-24-10-15(18(25)23-6-5-19(20,21)12-23)8-17(24)16(22-13)3-2-14-4-7-26-11-14/h4,7-11H,5-6,12H2,1H3
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| InChIKey |
CIGFJNQHIFYYCL-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