General Information of the Compound
| Compound ID |
CP0459163
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| Compound Name |
6-[[1-[4-(3-phenylphenyl)phenyl]sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C29H26N4O2S
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| Molecular Weight |
494.62
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H26N4O2S/c30-20-22-9-14-29(31-21-22)32-27-15-17-33(18-16-27)36(34,35)28-12-10-24(11-13-28)26-8-4-7-25(19-26)23-5-2-1-3-6-23/h1-14,19,21,27H,15-18H2,(H,31,32)
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| InChIKey |
GGRKZFQCAAKWBX-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