General Information of the Compound
Compound ID
CP0445936
Compound Name
N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
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Structure
Formula
C17H26ClN3O3S
Molecular Weight
387.933
Canonical SMILES
CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCC1)S(N)(=O)=O
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InChI
InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
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InChIKey
WVNMCWQJUJCKNS-UHFFFAOYSA-N
Physicochemical Property
logP
3.2619
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
101.29
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 12698199
ChEMBL ID
CHEMBL4174214
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 = 20 nM
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