General Information of the Compound
Compound ID
CP0483096
Compound Name
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
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Structure
Formula
C10H12Cl2N2O4S
Molecular Weight
327.189
Canonical SMILES
COCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
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InChI
InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
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InChIKey
WVMBHAOCSXODMK-UHFFFAOYSA-N
Physicochemical Property
logP
1.017
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 21189414
ChEMBL ID
CHEMBL4166964
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 = 71.4 nM
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