General Information of the Compound
Compound ID
CP0471784
Compound Name
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
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Structure
Formula
C10H12Cl2N2O4S
Molecular Weight
327.189
Canonical SMILES
NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl)cc1Cl
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InChI
InChI=1S/C10H12Cl2N2O4S/c11-7-5-8(12)9(19(13,17)18)4-6(7)10(16)14-2-1-3-15/h4-5,15H,1-3H2,(H,14,16)(H2,13,17,18)
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InChIKey
OZBGWVAREHIEDY-UHFFFAOYSA-N
Physicochemical Property
logP
0.753
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
109.49
Hydrogen Bond Donor Count
3
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: 126508709
ChEMBL ID
CHEMBL4173471
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 = 50 nM
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