General Information of the Compound
Compound ID
CP0182233
Compound Name
3-[[(Z)-(4-oxo-2-propan-2-yloxychromen-3-ylidene)methyl]amino]benzenesulfonamide
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Structure
Formula
C19H20N2O5S
Molecular Weight
388.445
Canonical SMILES
CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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InChI
InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-8-3-4-9-17(15)26-19)11-21-13-6-5-7-14(10-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+
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InChIKey
FCYSNJANGIWNSL-LFIBNONCSA-N
Physicochemical Property
logP
2.6562
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
107.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 127048134
ChEMBL ID
CHEMBL3798753
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 287 nM
   TI
   LI
   LO
   TS
2
Ki = 14 nM
   TI
   LI
   LO
   TS