General Information of the Compound
Compound ID
CP0857547
Compound Name
N-(9-oxo-9H-fluoren-2-yl)-2,4dichlorobenzenesulfonamide
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Structure
Formula
C19H11Cl2NO3S
Molecular Weight
404.274
Canonical SMILES
O=C1c2ccccc2-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc21
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InChI
InChI=1S/C19H11Cl2NO3S/c20-11-5-8-18(17(21)9-11)26(24,25)22-12-6-7-14-13-3-1-2-4-15(13)19(23)16(14)10-12/h1-10,22H
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InChIKey
GXYNLSPFPPHUPK-UHFFFAOYSA-N
Physicochemical Property
logP
5.0056
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 90665332
ChEMBL ID
CHEMBL3217904
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 = 20000 nM
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