ID: ALA2385372

Max Phase: Preclinical

Molecular Formula: C22H40N2OSi

Molecular Weight: 376.66

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1

Standard InChI:  InChI=1S/C22H40N2OSi/c1-19-17-24(18-20-12-8-7-9-13-20)21(16-23-19)14-10-11-15-25-26(5,6)22(2,3)4/h7-9,12-13,19,21,23H,10-11,14-18H2,1-6H3/t19-,21-/m1/s1

Standard InChI Key:  RHCSBPWMBOFIJC-TZIWHRDSSA-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: 376.66

Molecular Weight (Monoisotopic): 376.2910

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. Borzenko A, Pajouhesh H, Morrison JL, Tringham E, Snutch TP, Schafer LL..  (2013)  Modular, efficient synthesis of asymmetrically substituted piperazine scaffolds as potent calcium channel blockers.,  23  (11): [PMID:23639535] [10.1016/j.bmcl.2013.03.114]

Source

Source(1):

• Scientific Literature