General Information of the Compound
| Compound ID |
CP0240923
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| Compound Name |
4-methyl-1-[6-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C20H25N5O3S2
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| Molecular Weight |
447.586
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccsc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C20H25N5O3S2/c1-20(14-21)4-6-23(7-5-20)17-15(13-22-16-3-12-29-18(16)17)19(26)24-8-10-25(11-9-24)30(2,27)28/h3,12-13H,4-11H2,1-2H3
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| InChIKey |
GLYXYANMWHVHJW-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