General Information of the Compound
| Compound ID |
CP0430236
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| Compound Name |
(1H-Benzoimidazol-2-yl)-{5-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-heptyl-amine
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| Structure |
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| Formula |
C36H45N5O2S
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| Molecular Weight |
611.856
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C36H45N5O2S/c1-4-5-6-7-11-24-41(35-37-31-14-9-10-15-32(31)38-35)25-12-8-13-26-44-36-39-33(27-16-20-29(42-2)21-17-27)34(40-36)28-18-22-30(43-3)23-19-28/h9-10,14-23H,4-8,11-13,24-26H2,1-3H3,(H,37,38)(H,39,40)
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| InChIKey |
PSLGAOQUNMQKFT-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