ID: ALA5267780

Max Phase: Preclinical

Molecular Formula: C19H20Cl2N2O

Molecular Weight: 363.29

Representations

Canonical SMILES:  Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCOCC1

Standard InChI:  InChI=1S/C19H20Cl2N2O/c20-14-2-4-18-16(12-14)17-13-15(21)3-5-19(17)23(18)7-1-6-22-8-10-24-11-9-22/h2-5,12-13H,1,6-11H2

Standard InChI Key:  ZLGZTFGFDMPKQI-UHFFFAOYSA-N

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

Properties

Molecular Weight: 363.29

Molecular Weight (Monoisotopic): 362.0953

AlogP: 4.82

#Rotatable Bonds: 4

Polar Surface Area: 17.40

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 7.86

CX LogP: 4.38

CX LogD: 3.79

Aromatic Rings: 3

Heavy Atoms: 24

QED Weighted: 0.66

Np Likeness Score: -1.30

References

1. Clausen JD, Kjellerup L, Cohrt KO, Hansen JB, Dalby-Brown W, Winther AL..  (2017)  Elucidation of antimicrobial activity and mechanism of action by N-substituted carbazole derivatives.,  27  (19): [PMID:28893470] [10.1016/j.bmcl.2017.08.067]

Source

Source(1):

• Scientific Literature