General Information of the Compound
Compound ID
CP0875698
Compound Name
N'-(2,4-dihydroxy-6-methylbenzylidene)-2-(m-tolyloxy)acetohydrazide
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Structure
Formula
C17H18N2O4
Molecular Weight
314.341
Canonical SMILES
Cc1cccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c1
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InChI
InChI=1S/C17H18N2O4/c1-11-4-3-5-14(6-11)23-10-17(22)19-18-9-15-12(2)7-13(20)8-16(15)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)/b18-9+
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InChIKey
RFVLEYAFCOXWIM-GIJQJNRQSA-N
Physicochemical Property
logP
2.24374
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
91.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 135588530
SID: 81081399
ChEMBL ID
CHEMBL452136
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1090 nM
   TI
   LI
   LO
   TS
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS