General Information of the Compound
Compound ID
CP0448179
Compound Name
1-carbazol-9-yl-3-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)propan-2-ol
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Structure
Formula
C19H23N3O3S
Molecular Weight
373.478
Canonical SMILES
CN1CCCN(CC(O)Cn2c3ccccc3c3ccccc23)S1(=O)=O
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InChI
InChI=1S/C19H23N3O3S/c1-20-11-6-12-21(26(20,24)25)13-15(23)14-22-18-9-4-2-7-16(18)17-8-3-5-10-19(17)22/h2-5,7-10,15,23H,6,11-14H2,1H3
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InChIKey
MZZYNDIMZODFGH-UHFFFAOYSA-N
Physicochemical Property
logP
2.0377
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
65.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 89897829
ChEMBL ID
CHEMBL3754467
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 = 726 nM
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