General Information of the Compound
Compound ID
CP0417256
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-fluorophenyl)methanesulfonamide
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Structure
Formula
C22H21FN2O3S
Molecular Weight
412.486
Canonical SMILES
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1F
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InChI
InChI=1S/C22H21FN2O3S/c1-29(27,28)25(22-13-7-4-10-19(22)23)15-16(26)14-24-20-11-5-2-8-17(20)18-9-3-6-12-21(18)24/h2-13,16,26H,14-15H2,1H3
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InChIKey
FBEHMXAMJFAZAR-UHFFFAOYSA-N
Physicochemical Property
logP
3.7607
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
62.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 127037522
ChEMBL ID
CHEMBL3754502
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 = 2549 nM
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