General Information of the Compound
| Compound ID |
CP0564963
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| Compound Name |
ethyl N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C21H25N3O4S2
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| Molecular Weight |
447.582
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| Canonical SMILES |
CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C21H25N3O4S2/c1-4-28-21(25)23-30(26,27)20-19(12-18(29-20)10-15(2)3)17-7-5-6-16(11-17)13-24-9-8-22-14-24/h5-9,11-12,14-15H,4,10,13H2,1-3H3,(H,23,25)
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| InChIKey |
SNWXAMHUHUNEOY-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