General Information of the Compound
| Compound ID |
CP0543118
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| Compound Name |
N-(1,3-benzodioxol-4-ylmethyl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C25H24N2O5S2
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| Molecular Weight |
496.61
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| Canonical SMILES |
O=C(Cc1ccsc1)N(CCc1ccc(cc1)S(=O)(=O)NCC#C)Cc1cccc2OCOc12
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| InChI |
InChI=1S/C25H24N2O5S2/c1-2-12-26-34(29,30)22-8-6-19(7-9-22)10-13-27(24(28)15-20-11-14-33-17-20)16-21-4-3-5-23-25(21)32-18-31-23/h1,3-9,11,14,17,26H,10,12-13,15-16,18H2
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| InChIKey |
DJLMNDROHBGXSG-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