General Information of the Compound
Compound ID
CP0395648
Compound Name
N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
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Structure
Formula
C19H24N2O3S2
Molecular Weight
392.546
Canonical SMILES
CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1nccs1
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InChI
InChI=1S/C19H24N2O3S2/c1-14(2)12-21(26(22,23)18-20-9-10-25-18)13-15-5-6-17-16(11-15)7-8-19(3,4)24-17/h5-11,14H,12-13H2,1-4H3
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InChIKey
UNYRZPMXPQOISN-UHFFFAOYSA-N
Physicochemical Property
logP
4.1742
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
59.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 60202086
SID: 144219950
ChEMBL ID
CHEMBL2163602
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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