General Information of the Compound
| Compound ID |
CP0531692
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| Compound Name |
[4-[3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C32H30N4O6S
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| Molecular Weight |
598.681
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C32H30N4O6S/c1-40-29-11-8-23(18-30(29)41-2)32(37)35-16-13-25(14-17-35)36-21-34-20-28(36)22-6-9-26(10-7-22)42-43(38,39)31-5-3-4-24-19-33-15-12-27(24)31/h3-12,15,18-21,25H,13-14,16-17H2,1-2H3
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| InChIKey |
MGQLJMZSDZMDLM-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