General Information of the Compound
| Compound ID |
CP0564961
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| Compound Name |
propyl N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C22H27N3O4S2
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| Molecular Weight |
461.609
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| Canonical SMILES |
CCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C22H27N3O4S2/c1-4-10-29-22(26)24-31(27,28)21-20(13-19(30-21)11-16(2)3)18-7-5-6-17(12-18)14-25-9-8-23-15-25/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3,(H,24,26)
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| InChIKey |
ZHEVAAQPJJSDKB-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