General Information of the Compound
Compound ID
CP0512392
Compound Name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)cyclopropanesulfonamide
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Structure
Formula
C23H24N2O4S
Molecular Weight
424.522
Canonical SMILES
OC(CN(Cc1ccco1)S(=O)(=O)C1CC1)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C23H24N2O4S/c26-17(14-24(16-18-6-5-13-29-18)30(27,28)19-11-12-19)15-25-22-9-3-1-7-20(22)21-8-2-4-10-23(21)25/h1-10,13,17,19,26H,11-12,14-16H2
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InChIKey
VASICDYHZRSWQB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7428
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
75.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 89897735
ChEMBL ID
CHEMBL3752613
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 = 557 nM
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