General Information of the Compound
| Compound ID |
CP0412510
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| Compound Name |
2-(ethylsulfanyl)-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinoline
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| Structure |
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| Formula |
C22H20N4S
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| Molecular Weight |
372.497
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| Canonical SMILES |
CCSc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1
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| InChI |
InChI=1S/C22H20N4S/c1-2-27-20-14-16(15-8-3-4-9-17(15)24-20)21-19-11-7-13-26(19)25-22(21)18-10-5-6-12-23-18/h3-6,8-10,12,14H,2,7,11,13H2,1H3
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| InChIKey |
NUPSSPXZXIEFPS-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