General Information of the Compound
| Compound ID |
CP0405333
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| Compound Name |
N-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-butyl-5-tert-butyl-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C37H46N4O3S
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| Molecular Weight |
626.867
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| Canonical SMILES |
CCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2cc(ccc2o1)C(C)(C)C
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| InChI |
InChI=1S/C37H46N4O3S/c1-7-8-22-41(36-38-31-25-28(37(2,3)4)16-21-32(31)44-36)23-10-9-11-24-45-35-39-33(26-12-17-29(42-5)18-13-26)34(40-35)27-14-19-30(43-6)20-15-27/h12-21,25H,7-11,22-24H2,1-6H3,(H,39,40)
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| InChIKey |
ROYQJKVQYGXCIA-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