General Information of the Compound
| Compound ID |
CP0510447
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| Compound Name |
Benzooxazol-2-yl-ethyl-{5-[5-(4-methylsulfanyl-phenyl)-4-phenyl-1H-imidazol-2-ylsulfanyl]-pentyl}-amine
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| Structure |
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| Formula |
C30H32N4OS2
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| Molecular Weight |
528.747
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| Canonical SMILES |
CCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccccc1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C30H32N4OS2/c1-3-34(30-31-25-14-8-9-15-26(25)35-30)20-10-5-11-21-37-29-32-27(22-12-6-4-7-13-22)28(33-29)23-16-18-24(36-2)19-17-23/h4,6-9,12-19H,3,5,10-11,20-21H2,1-2H3,(H,32,33)
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| InChIKey |
LQJNNFNWQSLYOK-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