ID: ALA1469431

Max Phase: Preclinical

Molecular Formula: C24H25N3O5

Molecular Weight: 435.48

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC1CCN(C(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ccccc32)CC1

Standard InChI:  InChI=1S/C24H25N3O5/c1-16-8-10-25(11-9-16)22(28)14-26-19-5-3-2-4-18(19)23(29)27(24(26)30)13-17-6-7-20-21(12-17)32-15-31-20/h2-7,12,16H,8-11,13-15H2,1H3

Standard InChI Key:  ZHOANRPYZUJVBI-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: 435.48

Molecular Weight (Monoisotopic): 435.1794

AlogP: 2.20

#Rotatable Bonds: 4

Polar Surface Area: 82.77

Molecular Species: NEUTRAL

HBA: 7

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 8

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 2.44

CX LogD: 2.44

Aromatic Rings: 3

Heavy Atoms: 32

QED Weighted: 0.63

Np Likeness Score: -1.29

References

1. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays