General Information of the Compound
| Compound ID |
CP0549247
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| Compound Name |
[4-[3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(methylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C30H30N4O7S2
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| Molecular Weight |
622.725
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| Canonical SMILES |
CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C30H30N4O7S2/c1-31-29(35)23-4-3-5-27(18-23)43(39,40)41-25-10-6-21(7-11-25)28-19-32-20-34(28)24-14-16-33(17-15-24)30(36)22-8-12-26(13-9-22)42(2,37)38/h3-13,18-20,24H,14-17H2,1-2H3,(H,31,35)
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| InChIKey |
UQPBSEALMOAAHW-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