General Information of the Compound
Compound ID
CP0916679
Compound Name
N-(4-benzoylphenyl)-4-iodobenzenesulfonamide
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Structure
Formula
C19H14INO3S
Molecular Weight
463.296
Canonical SMILES
O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1
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InChI
InChI=1S/C19H14INO3S/c20-16-8-12-18(13-9-16)25(23,24)21-17-10-6-15(7-11-17)19(22)14-4-2-1-3-5-14/h1-13,21H
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InChIKey
OKGMQKIKGPNQBZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.323
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 11839482
ChEMBL ID
CHEMBL3217917
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: PT04000, Integrin alpha-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 22000 nM
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