N'-((9-butyl-9H-carbazol-3-yl)methylene)isonicotinohydrazide

ID: ALA5204260

Chembl Id: CHEMBL5204260

PubChem CID: 168294099

Max Phase: Preclinical

Molecular Formula: C23H22N4O

Molecular Weight: 370.46

Names and Identifiers

Canonical SMILES:  CCCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccncc3)ccc21

Standard InChI:  InChI=1S/C23H22N4O/c1-2-3-14-27-21-7-5-4-6-19(21)20-15-17(8-9-22(20)27)16-25-26-23(28)18-10-12-24-13-11-18/h4-13,15-16H,2-3,14H2,1H3,(H,26,28)/b25-16+

Standard InChI Key:  COQRQTRSBNAEGM-PCLIKHOPSA-N

Alternative Forms

1. Parent:

   

   ALA5204260

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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: 370.46

Molecular Weight (Monoisotopic): 370.1794

AlogP: 4.75

#Rotatable Bonds: 6

Polar Surface Area: 59.28

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.88

CX Basic pKa: 3.06

CX LogP: 4.41

CX LogD: 4.41

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.39

Np Likeness Score: -1.46

References

1. Wang G, Sun S, Guo H..  (2022)  Current status of carbazole hybrids as anticancer agents.,  229  [PMID:34838335] [10.1016/j.ejmech.2021.113999]

Source

Source(1):

• Scientific Literature