General Information of the Compound
| Compound ID |
CP0501012
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| Compound Name |
Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-butyl-amine
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| Structure |
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| Formula |
C33H38N4O3S
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| Molecular Weight |
570.759
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| Canonical SMILES |
CCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C33H38N4O3S/c1-4-5-21-37(33-34-28-11-7-8-12-29(28)40-33)22-9-6-10-23-41-32-35-30(24-13-17-26(38-2)18-14-24)31(36-32)25-15-19-27(39-3)20-16-25/h7-8,11-20H,4-6,9-10,21-23H2,1-3H3,(H,35,36)
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| InChIKey |
YLJVHPDVTGLPNL-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