General Information of the Compound
| Compound ID |
CP0550727
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| Compound Name |
N-[(5-chloro-2-methoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]hexanamide
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| Structure |
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| Formula |
C25H31ClN2O4S
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| Molecular Weight |
491.053
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| Canonical SMILES |
CCCCCC(=O)N(CCc1ccc(cc1)S(=O)(=O)NCC#C)Cc1cc(Cl)ccc1OC
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| InChI |
InChI=1S/C25H31ClN2O4S/c1-4-6-7-8-25(29)28(19-21-18-22(26)11-14-24(21)32-3)17-15-20-9-12-23(13-10-20)33(30,31)27-16-5-2/h2,9-14,18,27H,4,6-8,15-17,19H2,1,3H3
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| InChIKey |
WALSEPKPGBCNSI-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