General Information of the Compound
Compound ID
CP0222675
Compound Name
2-[(5-chloranylthiophen-2-yl)sulfonylamino]-N-[2-(phenylmethyl)phenyl]benzamide
    Show/Hide
Structure
Formula
C24H19ClN2O3S2
Molecular Weight
483.014
Canonical SMILES
Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C24H19ClN2O3S2/c25-22-14-15-23(31-22)32(29,30)27-21-13-7-5-11-19(21)24(28)26-20-12-6-4-10-18(20)16-17-8-2-1-3-9-17/h1-15,27H,16H2,(H,26,28)
    Show/Hide
InChIKey
DRIXOSNRVOTWBM-UHFFFAOYSA-N
Physicochemical Property
logP
6.0454
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3677740
ChEMBL ID
CHEMBL1329925
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 16360.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 8199.5 nM
   TI
   LI
   LO
   TS