General Information of the Compound
Compound ID
CP0459046
Compound Name
N-butyl-4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzamide
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Structure
Formula
C19H30ClN3O3S
Molecular Weight
415.987
Canonical SMILES
CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCCCC1)S(N)(=O)=O
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InChI
InChI=1S/C19H30ClN3O3S/c1-2-3-11-22-19(24)15-12-18(27(21,25)26)16(20)13-17(15)23-14-9-7-5-4-6-8-10-14/h12-14,23H,2-11H2,1H3,(H,22,24)(H2,21,25,26)
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InChIKey
LWZZWCZCKSLZBX-UHFFFAOYSA-N
Physicochemical Property
logP
4.0421
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
101.29
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 126507962
ChEMBL ID
CHEMBL4159066
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 = 10 nM
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