General Information of the Compound
| Compound ID |
CP0557495
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| Compound Name |
[4-[3-[1-(4-phenoxybenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C36H30N4O5S
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| Molecular Weight |
630.726
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| Canonical SMILES |
O=C(N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C36H30N4O5S/c41-36(27-11-13-31(14-12-27)44-30-6-2-1-3-7-30)39-21-18-29(19-22-39)40-25-38-24-34(40)26-9-15-32(16-10-26)45-46(42,43)35-8-4-5-28-23-37-20-17-33(28)35/h1-17,20,23-25,29H,18-19,21-22H2
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| InChIKey |
OZFREMIXAQNJTO-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