General Information of the Compound
Compound ID
CP0417255
Compound Name
N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
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Structure
Formula
C23H24N2O3S
Molecular Weight
408.523
Canonical SMILES
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1
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InChI
InChI=1S/C23H24N2O3S/c1-29(27,28)24(15-18-9-3-2-4-10-18)16-19(26)17-25-22-13-7-5-11-20(22)21-12-6-8-14-23(21)25/h2-14,19,26H,15-17H2,1H3
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InChIKey
LNFVGXZYHJUBDM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6172
Rotatable Bonds
7
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: 89900891
ChEMBL ID
CHEMBL3753460
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 = 818 nM
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