General Information of the Compound
Compound ID
CP0390392
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)-2-methylpropane-1-sulfonamide
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Structure
Formula
C24H28N2O4S
Molecular Weight
440.565
Canonical SMILES
CC(C)CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccco1
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InChI
InChI=1S/C24H28N2O4S/c1-18(2)17-31(28,29)25(16-20-8-7-13-30-20)14-19(27)15-26-23-11-5-3-9-21(23)22-10-4-6-12-24(22)26/h3-13,18-19,27H,14-17H2,1-2H3
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InChIKey
LXEDMOOLYSISPT-UHFFFAOYSA-N
Physicochemical Property
logP
4.2364
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
75.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 89897884
ChEMBL ID
CHEMBL3753223
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 = 361 nM
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