General Information of the Compound
Compound ID
CP0396713
Compound Name
N-(2-amino-4,5-dichlorophenyl)-4-tert-butylbenzenesulfonamide
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Structure
Formula
C16H18Cl2N2O2S
Molecular Weight
373.305
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1N
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InChI
InChI=1S/C16H18Cl2N2O2S/c1-16(2,3)10-4-6-11(7-5-10)23(21,22)20-15-9-13(18)12(17)8-14(15)19/h4-9,20H,19H2,1-3H3
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InChIKey
DNQBSOCIXFXQAO-UHFFFAOYSA-N
Physicochemical Property
logP
4.6739
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
72.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 137631676
ChEMBL ID
CHEMBL4065866
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: PT01679, 17-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4650 nM
   TI
   LI
   LO
   TS