General Information of the Compound
Compound ID
CP0874101
Compound Name
N-(Cyclobutyl)-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-pyridine-2-sulfonamide
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Structure
Formula
C21H24N2O3S
Molecular Weight
384.501
Canonical SMILES
CC1(C)C=Cc2cc(CN(C3CCC3)S(=O)(=O)c3ccccn3)ccc2O1
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InChI
InChI=1S/C21H24N2O3S/c1-21(2)12-11-17-14-16(9-10-19(17)26-21)15-23(18-6-5-7-18)27(24,25)20-8-3-4-13-22-20/h3-4,8-14,18H,5-7,15H2,1-2H3
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InChIKey
RDHRAJMZQMVUKQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0092
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
59.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 60201928
SID: 144219780
ChEMBL ID
CHEMBL2163596
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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