General Information of the Compound
| Compound ID |
CP0557500
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| Compound Name |
[4-[3-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazol-4-yl]phenyl] 3-(cyclopropylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C32H32N4O6S
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| Molecular Weight |
600.697
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1
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| InChI |
InChI=1S/C32H32N4O6S/c1-41-27-11-7-23(8-12-27)32(38)35-17-15-26(16-18-35)36-21-33-20-30(36)22-5-13-28(14-6-22)42-43(39,40)29-4-2-3-24(19-29)31(37)34-25-9-10-25/h2-8,11-14,19-21,25-26H,9-10,15-18H2,1H3,(H,34,37)
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| InChIKey |
ZOANJVVKFCNXLB-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