General Information of the Compound
Compound ID
CP0417253
Compound Name
1-carbazol-9-yl-3-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
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Structure
Formula
C18H21N3O3S
Molecular Weight
359.451
Canonical SMILES
OC(CN1CCCNS1(=O)=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C18H21N3O3S/c22-14(12-20-11-5-10-19-25(20,23)24)13-21-17-8-3-1-6-15(17)16-7-2-4-9-18(16)21/h1-4,6-9,14,19,22H,5,10-13H2
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InChIKey
BBBPEHQCJMODKI-UHFFFAOYSA-N
Physicochemical Property
logP
1.6955
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
74.57
Hydrogen Bond Donor Count
2
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: 72544448
ChEMBL ID
CHEMBL3753932
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 = 384 nM
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