General Information of the Compound
| Compound ID |
CP0468746
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| Compound Name |
[4-[3-[1-(4-nitrobenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-cyanobenzenesulfonate
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| Structure |
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| Formula |
C28H23N5O6S
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| Molecular Weight |
557.588
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C28H23N5O6S/c29-17-20-2-1-3-26(16-20)40(37,38)39-25-10-6-21(7-11-25)27-18-30-19-32(27)23-12-14-31(15-13-23)28(34)22-4-8-24(9-5-22)33(35)36/h1-11,16,18-19,23H,12-15H2
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| InChIKey |
YWQWZFOLEOQSSQ-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