General Information of the Compound
| Compound ID |
CP0386321
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| Compound Name |
methyl 3-[4-[(4-bromoanilino)sulfamoyl]phenyl]propanoate
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| Structure |
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| Formula |
C16H17BrN2O4S
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| Molecular Weight |
413.293
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| Canonical SMILES |
COC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
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| InChI |
InChI=1S/C16H17BrN2O4S/c1-23-16(20)11-4-12-2-9-15(10-3-12)24(21,22)19-18-14-7-5-13(17)6-8-14/h2-3,5-10,18-19H,4,11H2,1H3
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| InChIKey |
MCQHCDLTXPDSRD-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