General Information of the Compound
| Compound ID |
CP0505127
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| Compound Name |
[1-[2-(2-fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C21H18FN3O
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| Molecular Weight |
347.393
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(=O)N1CCCC1
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| InChI |
InChI=1S/C21H18FN3O/c1-15-13-25-14-17(21(26)24-10-4-5-11-24)12-20(25)19(23-15)9-8-16-6-2-3-7-18(16)22/h2-3,6-7,12-14H,4-5,10-11H2,1H3
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| InChIKey |
NYGIDCPRCCBVFG-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