(Z)-2-hydroxy-N'-((2-oxonaphthalen-1(2H)-ylidene)methyl)-2,2-diphenylacetohydrazide

ID: ALA4448294

Chembl Id: CHEMBL4448294

PubChem CID: 135624693

Max Phase: Preclinical

Molecular Formula: C25H20N2O3

Molecular Weight: 396.45

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=C1C=Cc2ccccc2/C1=C/NNC(=O)C(O)(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C25H20N2O3/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(29)25(30,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,26,30H,(H,27,29)/b22-17-

Standard InChI Key:  XAIQMHYNSRRQAB-XLNRJJMWSA-N

Alternative Forms

1. Parent:

   

   ALA4448294

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 396.45

Molecular Weight (Monoisotopic): 396.1474

AlogP: 3.18

#Rotatable Bonds: 5

Polar Surface Area: 78.43

Molecular Species: NEUTRAL

HBA: 4

HBD: 3

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 10.36

CX Basic pKa: ┄

CX LogP: 3.99

CX LogD: 3.99

Aromatic Rings: 3

Heavy Atoms: 30

QED Weighted: 0.46

Np Likeness Score: -0.27

References

1.  (2012)  Entpd5 inhibitors, 

Source

Source(1):

• Patent Bioactivity Data