General Information of the Compound
Compound ID
CP0443604
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-propylmethanesulfonamide
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Structure
Formula
C19H24N2O3S
Molecular Weight
360.479
Canonical SMILES
CCCN(CC(O)Cn1c2ccccc2c2ccccc12)S(C)(=O)=O
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InChI
InChI=1S/C19H24N2O3S/c1-3-12-20(25(2,23)24)13-15(22)14-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4-11,15,22H,3,12-14H2,1-2H3
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InChIKey
OJSUWVFIOHAVRZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.827
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
62.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 127037347
ChEMBL ID
CHEMBL3752371
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 = 408 nM
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