ID: ALA1088141

Max Phase: Preclinical

Molecular Formula: C26H17N3

Molecular Weight: 371.44

Molecule Type: Small molecule

Representations

Canonical SMILES:  c1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(-c4ccncc4)cc3)n21

Standard InChI:  InChI=1S/C26H17N3/c1-4-8-24-21(5-1)17-25-22-6-2-3-7-23(22)28-26(29(24)25)20-11-9-18(10-12-20)19-13-15-27-16-14-19/h1-17H

Standard InChI Key:  IFCMYMNJFGXONO-UHFFFAOYSA-N

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

Properties

Molecular Weight: 371.44

Molecular Weight (Monoisotopic): 371.1422

AlogP: 6.37

#Rotatable Bonds: 2

Polar Surface Area: 30.19

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 5.00

CX LogP: 5.26

CX LogD: 5.26

Aromatic Rings: 6

Heavy Atoms: 29

QED Weighted: 0.35

Np Likeness Score: -0.68

References

1. Rohini R, Muralidhar Reddy P, Shanker K, Hu A, Ravinder V..  (2010)  Antimicrobial study of newly synthesized 6-substituted indolo[1,2-c]quinazolines.,  45  (3): [PMID:20005020] [10.1016/j.ejmech.2009.11.038]

Source

Source(1):

• Scientific Literature