General Information of the Compound
| Compound ID |
CP0551540
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| Compound Name |
N-[(5-chloro-2-nitrophenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C24H22ClN3O5S2
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| Molecular Weight |
532.043
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccsc1
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| InChI |
InChI=1S/C24H22ClN3O5S2/c1-2-11-26-35(32,33)22-6-3-18(4-7-22)9-12-27(24(29)14-19-10-13-34-17-19)16-20-15-21(25)5-8-23(20)28(30)31/h1,3-8,10,13,15,17,26H,9,11-12,14,16H2
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| InChIKey |
PSCBXAMNXDCGEP-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