General Information of the Compound
Compound ID
CP0458464
Compound Name
4-cyano-N'-(3-methylphenyl)benzenesulfonohydrazide
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Structure
Formula
C14H13N3O2S
Molecular Weight
287.344
Canonical SMILES
Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C#N)c1
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InChI
InChI=1S/C14H13N3O2S/c1-11-3-2-4-13(9-11)16-17-20(18,19)14-7-5-12(10-15)6-8-14/h2-9,16-17H,1H3
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InChIKey
CFNBOFMVTNMRCH-UHFFFAOYSA-N
Physicochemical Property
logP
2.1721
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
81.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 118706834
ChEMBL ID
CHEMBL3310844
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 3404 nM
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