General Information of the Compound
Compound ID
CP0562287
Compound Name
1-carbazol-9-yl-3-(1,1-dioxothiazetidin-2-yl)propan-2-ol
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Structure
Formula
C17H18N2O3S
Molecular Weight
330.409
Canonical SMILES
OC(CN1CCS1(=O)=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C17H18N2O3S/c20-13(11-18-9-10-23(18,21)22)12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,20H,9-12H2
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InChIKey
KIJPWJIVOAHERX-UHFFFAOYSA-N
Physicochemical Property
logP
1.8008
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
62.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 127035434
ChEMBL ID
CHEMBL3753709
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 = 190 nM
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