General Information of the Compound
| Compound ID |
CP0449010
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| Compound Name |
2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]ethyl]pyridine
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| Structure |
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| Formula |
C27H29N3OS
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| Molecular Weight |
443.616
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| Canonical SMILES |
C(CCOCCc1ccccn1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N3OS/c1-4-12-22(13-5-1)25-26(23-14-6-2-7-15-23)30-27(29-25)32-21-11-3-10-19-31-20-17-24-16-8-9-18-28-24/h1-2,4-9,12-16,18H,3,10-11,17,19-21H2,(H,29,30)
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| InChIKey |
QIDFHLWDPQBJTA-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