N'-(6-hydroxybiphenylcarbonyl)-3,4-diphenylfuran-2-carbohydrazide

ID: ALA3326177

PubChem CID: 68863701

Max Phase: Preclinical

Molecular Formula: C30H22N2O4

Molecular Weight: 474.52

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(-c2ccccc2)c1

Standard InChI:  InChI=1S/C30H22N2O4/c33-26-17-16-23(18-24(26)20-10-4-1-5-11-20)29(34)31-32-30(35)28-27(22-14-8-3-9-15-22)25(19-36-28)21-12-6-2-7-13-21/h1-19,33H,(H,31,34)(H,32,35)

Standard InChI Key:  QPZXJVVKDGOAEQ-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3326177

   N'-(4-hydroxy-3-phenylbenzoyl)-3,4-diphenylfuran-2-carbohydrazide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 474.52

Molecular Weight (Monoisotopic): 474.1580

AlogP: 6.06

#Rotatable Bonds: 5

Polar Surface Area: 91.57

Molecular Species: NEUTRAL

HBA: 4

HBD: 3

#RO5 Violations: 1

HBA (Lipinski): 6

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 7.44

CX Basic pKa: ┄

CX LogP: 5.79

CX LogD: 5.53

Aromatic Rings: 5

Heavy Atoms: 36

QED Weighted: 0.27

Np Likeness Score: -0.25

References

1. Hasegawa F, Niidome K, Migihashi C, Murata M, Negoro T, Matsumoto T, Kato K, Fujii A..  (2014)  Discovery of furan-2-carbohydrazides as orally active glucagon receptor antagonists.,  24  (17): [PMID:25127101] [10.1016/j.bmcl.2014.07.025]

Source

Source(1):

• Scientific Literature