General Information of the Compound
Compound ID
CP0413844
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)oxolane-3-sulfonamide
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Structure
Formula
C24H26N2O5S
Molecular Weight
454.548
Canonical SMILES
OC(CN(Cc1ccco1)S(=O)(=O)C1CCOC1)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C24H26N2O5S/c27-18(15-26-23-9-3-1-7-21(23)22-8-2-4-10-24(22)26)14-25(16-19-6-5-12-31-19)32(28,29)20-11-13-30-17-20/h1-10,12,18,20,27H,11,13-17H2
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InChIKey
YMACIXCRDONPNU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3693
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
84.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 89898048
ChEMBL ID
CHEMBL3754797
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 = 1177 nM
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