General Information of the Compound
| Compound ID |
CP0550733
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| Compound Name |
N-[(2-butoxy-5-chlorophenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C28H31ClN2O4S2
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| Molecular Weight |
559.153
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| Canonical SMILES |
CCCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1
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| InChI |
InChI=1S/C28H31ClN2O4S2/c1-3-5-16-35-27-11-8-25(29)19-24(27)20-31(28(32)18-23-13-17-36-21-23)15-12-22-6-9-26(10-7-22)37(33,34)30-14-4-2/h2,6-11,13,17,19,21,30H,3,5,12,14-16,18,20H2,1H3
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| InChIKey |
JSPPEWQOOOQPFC-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