General Information of the Compound
Compound ID
CP0154262
Compound Name
N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide
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Structure
Formula
C30H24N2O5S
Molecular Weight
524.598
Canonical SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
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InChI
InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)
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InChIKey
AJKBVOKBNKWIQX-UHFFFAOYSA-N
Physicochemical Property
logP
6.3442
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
115.73
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 25073557
SID: 56411825
ChEMBL ID
CHEMBL2041378
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 240 nM
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