General Information of the Compound
| Compound ID |
CP0391605
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| Compound Name |
tert-butyl N-[6-[3-[1,3-dimethyl-6-[(1-methylimidazol-4-yl)sulfonylamino]-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]hexyl]carbamate
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| Structure |
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| Formula |
C33H46N6O8S
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| Molecular Weight |
686.832
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| Canonical SMILES |
CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
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| InChI |
InChI=1S/C33H46N6O8S/c1-8-14-44-23-16-24(45-15-12-10-9-11-13-34-31(40)47-33(2,3)4)18-25(17-23)46-29-20-28-27(38(6)32(41)39(28)7)19-26(29)36-48(42,43)30-21-37(5)22-35-30/h16-22,36H,8-15H2,1-7H3,(H,34,40)
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| InChIKey |
POGCVDBDSGYDLY-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