General Information of the Compound
Compound ID
CP0174777
Compound Name
4-Hydroxy-benzoic acid (4-isopropyl-benzylidene)-hydrazide
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Synonyms
GSK 4716
GSK-4716
GSK4716
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Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
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InChI
InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
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InChIKey
IKPPIUNQWSRCOZ-WOJGMQOQSA-N
CAS
101574-65-6
Physicochemical Property
logP
3.2795
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
61.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 5331325
SID: 16511139
ChEMBL ID
CHEMBL193836
Clinical Information about the Compound
Drug 1 ( GSK4716 )
Drug Name GSK4716
Target(s)
Estrogen-related receptor-gamma (ESRRG)
Agonist