General Information of the Compound
| Compound ID |
CP0063241
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| Compound Name |
1-[4-[6-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C23H22N4O3S2
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| Molecular Weight |
466.588
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccsc2c1-c1ccc(cc1)C1(CC1)C#N
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| InChI |
InChI=1S/C23H22N4O3S2/c1-32(29,30)27-11-9-26(10-12-27)22(28)18-14-25-19-6-13-31-21(19)20(18)16-2-4-17(5-3-16)23(15-24)7-8-23/h2-6,13-14H,7-12H2,1H3
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| InChIKey |
MDRAXOMAROCJHK-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