General Information of the Compound
| Compound ID |
CP0538681
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| Compound Name |
1-[6-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C25H27N5O3S2
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| Molecular Weight |
509.657
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccsc2c1N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C25H27N5O3S2/c1-35(32,33)30-14-12-29(13-15-30)24(31)20-17-27-21-7-16-34-23(21)22(20)28-10-8-25(18-26,9-11-28)19-5-3-2-4-6-19/h2-7,16-17H,8-15H2,1H3
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| InChIKey |
JVEIKJNDHWTKST-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