General Information of the Compound
| Compound ID |
CP0474186
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| Compound Name |
N-[6-[3-(6-aminohexoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
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| Structure |
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| Formula |
C32H42N4O8S
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| Molecular Weight |
642.775
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| Canonical SMILES |
CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C32H42N4O8S/c1-6-14-42-22-16-23(43-15-10-8-7-9-13-33)18-24(17-22)44-30-21-28-27(35(2)32(37)36(28)3)20-26(30)34-45(38,39)25-11-12-29(40-4)31(19-25)41-5/h11-12,16-21,34H,6-10,13-15,33H2,1-5H3
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| InChIKey |
CKWMQEHOKHQQEY-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