General Information of the Compound
| Compound ID |
CP0478503
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| Compound Name |
[4-[3-[1-(4-nitrobenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(methylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C29H27N5O7S
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| Molecular Weight |
589.63
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| Canonical SMILES |
CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C29H27N5O7S/c1-30-28(35)22-3-2-4-26(17-22)42(39,40)41-25-11-7-20(8-12-25)27-18-31-19-33(27)23-13-15-32(16-14-23)29(36)21-5-9-24(10-6-21)34(37)38/h2-12,17-19,23H,13-16H2,1H3,(H,30,35)
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| InChIKey |
ZAJUTRQBMJIZFA-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