6,12-di(pyridin-3-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

ID: ALA5196362

Chembl Id: CHEMBL5196362

PubChem CID: 168285492

Max Phase: Preclinical

Molecular Formula: C28H20N4

Molecular Weight: 412.50

Names and Identifiers

Canonical SMILES:  c1cncc(C2c3[nH]c4ccccc4c3C(c3cccnc3)c3[nH]c4ccccc4c32)c1

Standard InChI:  InChI=1S/C28H20N4/c1-3-11-21-19(9-1)25-23(17-7-5-13-29-15-17)28-26(20-10-2-4-12-22(20)32-28)24(27(25)31-21)18-8-6-14-30-16-18/h1-16,23-24,31-32H

Standard InChI Key:  UHPSUJGZXJJSOR-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5196362

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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: 412.50

Molecular Weight (Monoisotopic): 412.1688

AlogP: 6.11

#Rotatable Bonds: 2

Polar Surface Area: 57.36

Molecular Species: NEUTRAL

HBA: 2

HBD: 2

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 5.42

CX LogP: 4.47

CX LogD: 4.47

Aromatic Rings: 6

Heavy Atoms: 32

QED Weighted: 0.36

Np Likeness Score: -0.23

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