General Information of the Compound
Compound ID
CP0565949
Compound Name
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-sulfonamide
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Structure
Formula
C17H17N3O2S
Molecular Weight
327.409
Canonical SMILES
O=S(=O)(NC1CCCc2c1[nH]c1ccccc21)c1cccnc1
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InChI
InChI=1S/C17H17N3O2S/c21-23(22,12-5-4-10-18-11-12)20-16-9-3-7-14-13-6-1-2-8-15(13)19-17(14)16/h1-2,4-6,8,10-11,16,19-20H,3,7,9H2
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InChIKey
WRULKKZJFCLCPR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9188
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 137646253
ChEMBL ID
CHEMBL4082537
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: PT06122, Retinoblastoma-associated protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS