General Information of the Compound
Compound ID
CP0856452
Compound Name
N-[(2,2-Dimethyl-2H-chromen-6-yl)methyl]-N-(propan-2-yl)-pyridine-2-sulfonamide
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Structure
Formula
C20H24N2O3S
Molecular Weight
372.49
Canonical SMILES
CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1
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InChI
InChI=1S/C20H24N2O3S/c1-15(2)22(26(23,24)19-7-5-6-12-21-19)14-16-8-9-18-17(13-16)10-11-20(3,4)25-18/h5-13,15H,14H2,1-4H3
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InChIKey
WHQXEGKAFBEKSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.8651
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
59.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 60201924
SID: 144219776
ChEMBL ID
CHEMBL2163592
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: PT02510, Histone acetyltransferase p300
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000887 LN229-V6R Homo sapiens (Human)  1
1
IC50 < 5000 nM
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   LI
   LO
   TS