General Information of the Compound
Compound ID
CP0443599
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)cyclohexanesulfonamide
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Structure
Formula
C26H30N2O4S
Molecular Weight
466.603
Canonical SMILES
OC(CN(Cc1ccco1)S(=O)(=O)C1CCCCC1)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C26H30N2O4S/c29-20(18-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28)17-27(19-21-9-8-16-32-21)33(30,31)22-10-2-1-3-11-22/h4-9,12-16,20,22,29H,1-3,10-11,17-19H2
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InChIKey
VZNUGBVVOUTYII-UHFFFAOYSA-N
Physicochemical Property
logP
4.9131
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
75.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 89897841
ChEMBL ID
CHEMBL3754517
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 = 1002 nM
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