General Information of the Compound
| Compound ID |
CP0493341
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| Compound Name |
3-((1-(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-ylidene) fluoromethyl)quinoline
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| Structure |
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| Formula |
C20H21FN4O2S
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| Molecular Weight |
400.479
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C20H21FN4O2S/c1-13-20(14(2)24-23-13)28(26,27)25-9-7-15(8-10-25)19(21)17-11-16-5-3-4-6-18(16)22-12-17/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
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| InChIKey |
JTGYOXKVMCWCBO-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