ID: ALA2286716

Max Phase: Preclinical

Molecular Formula: C22H28N2O2

Molecular Weight: 352.48

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C

Standard InChI:  InChI=1S/C22H28N2O2/c1-5-6-17-23(20(25)18-13-9-7-10-14-18)24(22(2,3)4)21(26)19-15-11-8-12-16-19/h7-16H,5-6,17H2,1-4H3

Standard InChI Key:  UAEUUVDILAMTKD-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: 352.48

Molecular Weight (Monoisotopic): 352.2151

AlogP: 4.78

#Rotatable Bonds: 5

Polar Surface Area: 40.62

Molecular Species: NEUTRAL

HBA: 2

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 4.91

CX LogD: 4.91

Aromatic Rings: 2

Heavy Atoms: 26

QED Weighted: 0.73

Np Likeness Score: -0.49

References

1. Soin T, Swevers L, Kotzia G, Iatrou K, Janssen CR, Rougé P, Harada T, Nakagawa Y, Smagghe G..  (2010)  Comparison of the activity of non-steroidal ecdysone agonists between dipteran and lepidopteran insects, using cell-based EcR reporter assays.,  66  (11): [PMID:20672340] [10.1002/ps.1998]

Source

Source(1):

• Scientific Literature