General Information of the Compound
| Compound ID |
CP0551722
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| Compound Name |
N-[(2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C27H30N2O4S2
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| Molecular Weight |
510.681
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| Canonical SMILES |
CCCOc1ccccc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1
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| InChI |
InChI=1S/C27H30N2O4S2/c1-3-15-28-35(31,32)25-11-9-22(10-12-25)13-16-29(27(30)19-23-14-18-34-21-23)20-24-7-5-6-8-26(24)33-17-4-2/h1,5-12,14,18,21,28H,4,13,15-17,19-20H2,2H3
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| InChIKey |
JRHZBPCLAOKXAR-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