N'-(2,6-dibromophenyl)-4-morpholinobenzohydrazide

ID: ALA5194584

Chembl Id: CHEMBL5194584

PubChem CID: 163409033

Max Phase: Preclinical

Molecular Formula: C17H17Br2N3O2

Molecular Weight: 455.15

Names and Identifiers

Canonical SMILES:  O=C(NNc1c(Br)cccc1Br)c1ccc(N2CCOCC2)cc1

Standard InChI:  InChI=1S/C17H17Br2N3O2/c18-14-2-1-3-15(19)16(14)20-21-17(23)12-4-6-13(7-5-12)22-8-10-24-11-9-22/h1-7,20H,8-11H2,(H,21,23)

Standard InChI Key:  YQWKGPHJXLAMOI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5194584

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 455.15

Molecular Weight (Monoisotopic): 452.9688

AlogP: 3.81

#Rotatable Bonds: 4

Polar Surface Area: 53.60

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 13.78

CX Basic pKa:

CX LogP: 4.35

CX LogD: 4.35

Aromatic Rings: 2

Heavy Atoms: 24

QED Weighted: 0.69

Np Likeness Score: -1.63

References

1. Liu X, Liang J, Yu Y, Han X, Yu L, Chen F, Xu Z, Chen Q, Jin M, Dong C, Zhou HB, Lan K, Wu S..  (2022)  Discovery of Aryl Benzoyl Hydrazide Derivatives as Novel Potent Broad-Spectrum Inhibitors of Influenza A Virus RNA-Dependent RNA Polymerase (RdRp).,  65  (5.0): [PMID:35212527] [10.1021/acs.jmedchem.1c01257]

Source

Source(1):

• Scientific Literature