General Information of the Compound
| Compound ID |
CP0420776
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| Compound Name |
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1H-benzoimidazol-2-yl)-phenyl-amine
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| Structure |
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| Formula |
C35H35N5O2S
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| Molecular Weight |
589.765
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCn2c(Nc3ccccc3)nc3ccccc23)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H35N5O2S/c1-41-28-19-15-25(16-20-28)32-33(26-17-21-29(42-2)22-18-26)39-35(38-32)43-24-10-4-9-23-40-31-14-8-7-13-30(31)37-34(40)36-27-11-5-3-6-12-27/h3,5-8,11-22H,4,9-10,23-24H2,1-2H3,(H,36,37)(H,38,39)
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| InChIKey |
ZZVKYIORYKXMKZ-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