General Information of the Compound
| Compound ID |
CP0512396
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| Compound Name |
Benzooxazol-2-yl-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-heptyl-amine
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| Structure |
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| Formula |
C34H40N4OS
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| Molecular Weight |
552.788
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C34H40N4OS/c1-2-3-4-5-15-24-38(34-35-29-22-13-14-23-30(29)39-34)25-16-8-17-26-40-33-36-31(27-18-9-6-10-19-27)32(37-33)28-20-11-7-12-21-28/h6-7,9-14,18-23H,2-5,8,15-17,24-26H2,1H3,(H,36,37)
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| InChIKey |
JXKIQCQCLAGPMT-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