General Information of the Compound
| Compound ID |
CP0572720
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| Compound Name |
6-[[1-[4-(4-cyanophenyl)phenyl]sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C24H21N5O2S
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| Molecular Weight |
443.532
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H21N5O2S/c25-15-18-1-4-20(5-2-18)21-6-8-23(9-7-21)32(30,31)29-13-11-22(12-14-29)28-24-10-3-19(16-26)17-27-24/h1-10,17,22H,11-14H2,(H,27,28)
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| InChIKey |
SZVAPKUSDNFSBZ-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