General Information of the Compound
| Compound ID |
CP0403064
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| Compound Name |
N-[6-[3-(3-aminopropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
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| Structure |
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| Formula |
C29H36N4O8S
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| Molecular Weight |
600.694
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| Canonical SMILES |
CCCOc1cc(OCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C29H36N4O8S/c1-6-11-39-19-13-20(40-12-7-10-30)15-21(14-19)41-27-18-25-24(32(2)29(34)33(25)3)17-23(27)31-42(35,36)22-8-9-26(37-4)28(16-22)38-5/h8-9,13-18,31H,6-7,10-12,30H2,1-5H3
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| InChIKey |
FUPXEMIBURHODB-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