General Information of the Compound
| Compound ID |
CP0459762
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-1,2,5-thiadiazole-3-carboxamide
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| Structure |
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| Formula |
C24H25ClN4O4S2
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| Molecular Weight |
533.075
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)c1cnsn1
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| InChI |
InChI=1S/C24H25ClN4O4S2/c1-3-12-27-35(31,32)21-8-5-18(6-9-21)11-13-29(24(30)22-16-26-34-28-22)17-19-15-20(25)7-10-23(19)33-14-4-2/h1,5-10,15-16,27H,4,11-14,17H2,2H3
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| InChIKey |
QIXGWAGREYCNSE-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