ID: ALA2261921

Max Phase: Preclinical

Molecular Formula: C24H29N3O3Si

Molecular Weight: 435.60

Molecule Type: Unknown

Representations

Canonical SMILES:  CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(C#C[Si](C)(C)C)ccc1-2

Standard InChI:  InChI=1S/C24H29N3O3Si/c1-24(2,3)30-23(29)20-21-19-8-7-12-26(19)22(28)17-14-16(11-13-31(4,5)6)9-10-18(17)27(21)15-25-20/h9-10,14-15,19H,7-8,12H2,1-6H3/t19-/m0/s1

Standard InChI Key:  FCBAIIQUIRAZRU-IBGZPJMESA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 435.60

Molecular Weight (Monoisotopic): 435.1978

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Li X, Yu J, Atack JR, Cook JM.  (2004)  Development of Selective Ligands for Benzodiazepine Receptor Subtypes by Manipulating the Substituents at Positions 3- and 7- of Optically Active BzR Ligands,  13  (5): [10.1007/s00044-004-0033-7]

Source

Source(1):

• Scientific Literature