6,12-bis(4-nitrofuran-2-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

ID: ALA5187059

Chembl Id: CHEMBL5187059

PubChem CID: 168282286

Max Phase: Preclinical

Molecular Formula: C26H16N4O6

Molecular Weight: 480.44

Names and Identifiers

Canonical SMILES:  O=[N+]([O-])c1coc(C2c3[nH]c4ccccc4c3C(c3cc([N+](=O)[O-])co3)c3[nH]c4ccccc4c32)c1

Standard InChI:  InChI=1S/C26H16N4O6/c31-29(32)13-9-19(35-11-13)23-21-15-5-1-3-7-17(15)27-25(21)24(20-10-14(12-36-20)30(33)34)22-16-6-2-4-8-18(16)28-26(22)23/h1-12,23-24,27-28H

Standard InChI Key:  UFSLBRKMIIGRRO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5187059

   ---

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: 480.44

Molecular Weight (Monoisotopic): 480.1070

AlogP: 6.33

#Rotatable Bonds: 4

Polar Surface Area: 144.14

Molecular Species: NEUTRAL

HBA: 6

HBD: 2

#RO5 Violations: 1

HBA (Lipinski): 10

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 4.68

CX LogD: 4.68

Aromatic Rings: 6

Heavy Atoms: 36

QED Weighted: 0.22

Np Likeness Score: -0.19

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