General Information of the Compound
Compound ID
CP0558193
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)ethanesulfonamide
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Structure
Formula
C22H24N2O4S
Molecular Weight
412.511
Canonical SMILES
CCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccco1
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InChI
InChI=1S/C22H24N2O4S/c1-2-29(26,27)23(16-18-8-7-13-28-18)14-17(25)15-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-13,17,25H,2,14-16H2,1H3
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InChIKey
ZAEZNXWQXRWNAT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6003
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
75.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 89897927
ChEMBL ID
CHEMBL3754134
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: PT06468, Period circadian protein homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 197 nM
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