General Information of the Compound
| Compound ID |
CP0543119
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| Compound Name |
N-(furan-2-ylmethyl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C22H22N2O4S2
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| Molecular Weight |
442.562
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| Canonical SMILES |
O=C(Cc1ccsc1)N(CCc1ccc(cc1)S(=O)(=O)NCC#C)Cc1ccco1
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| InChI |
InChI=1S/C22H22N2O4S2/c1-2-11-23-30(26,27)21-7-5-18(6-8-21)9-12-24(16-20-4-3-13-28-20)22(25)15-19-10-14-29-17-19/h1,3-8,10,13-14,17,23H,9,11-12,15-16H2
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| InChIKey |
AMIGDMNCHIUADJ-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