General Information of the Compound
Compound ID
CP0483097
Compound Name
2,4-dibromo-N-butyl-5-sulfamoylbenzamide
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Structure
Formula
C11H14Br2N2O3S
Molecular Weight
414.119
Canonical SMILES
CCCCNC(=O)c1cc(c(Br)cc1Br)S(N)(=O)=O
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InChI
InChI=1S/C11H14Br2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
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InChIKey
QKIXSEIIKHMOKR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3889
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
89.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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).

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PubChem ID
CID: 126509349
ChEMBL ID
CHEMBL4166643
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01011, Carbonic anhydrase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Kd = 28.6 nM
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