General Information of the Compound
Compound ID
CP0485909
Compound Name
2-[6-[(4-fluorophenyl)sulfonylamino]-3-phenyl-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
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Structure
Formula
C26H23FN2O4S
Molecular Weight
478.545
Canonical SMILES
OC(=O)Cn1c2CCC(Cc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)c1ccccc1
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InChI
InChI=1S/C26H23FN2O4S/c27-19-7-10-21(11-8-19)34(32,33)28-20-9-13-25-23(15-20)22-14-18(17-4-2-1-3-5-17)6-12-24(22)29(25)16-26(30)31/h1-5,7-11,13,15,18,28H,6,12,14,16H2,(H,30,31)
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InChIKey
JVCSHQZQQLERFB-UHFFFAOYSA-N
Physicochemical Property
logP
4.9383
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
88.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 44390332
ChEMBL ID
CHEMBL179980
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: PT01819, Thromboxane A2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 20000 nM
   TI
   LI
   LO
   TS