General Information of the Compound
| Compound ID |
CP0137549
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| Compound Name |
3-methylbutyl N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C24H31N3O4S2
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| Molecular Weight |
489.663
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| Canonical SMILES |
CC(C)CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C24H31N3O4S2/c1-17(2)8-11-31-24(28)26-33(29,30)23-22(14-21(32-23)12-18(3)4)20-7-5-6-19(13-20)15-27-10-9-25-16-27/h5-7,9-10,13-14,16-18H,8,11-12,15H2,1-4H3,(H,26,28)
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| InChIKey |
VGBKYUXZYOSUIC-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