General Information of the Compound
| Compound ID |
CP0467971
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C24H27ClN2O4S
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| Molecular Weight |
475.01
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)C=C
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| InChI |
InChI=1S/C24H27ClN2O4S/c1-4-14-26-32(29,30)22-10-7-19(8-11-22)13-15-27(24(28)6-3)18-20-17-21(25)9-12-23(20)31-16-5-2/h1,6-12,17,26H,3,5,13-16,18H2,2H3
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| InChIKey |
IOZNUWWFMIDIBW-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