ID: ALA4874732

Max Phase: Preclinical

Molecular Formula: C20H28OSi

Molecular Weight: 312.53

Molecule Type: Unknown

Representations

Canonical SMILES:  CC(C)[Si](C#CC#C[C@H](O)c1ccccc1)(C(C)C)C(C)C

Standard InChI:  InChI=1S/C20H28OSi/c1-16(2)22(17(3)4,18(5)6)15-11-10-14-20(21)19-12-8-7-9-13-19/h7-9,12-13,16-18,20-21H,1-6H3/t20-/m0/s1

Standard InChI Key:  HNKFWEHJGWDEPK-FQEVSTJZSA-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: 312.53

Molecular Weight (Monoisotopic): 312.1909

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 Y, Tan WL, Guo K, Gao XW, Wei J, Yi D, Zhang C, Wang Q..  (2021)  Synthesis and Biological Evaluation of Falcarinol-Type Analogues as Potential Calcium Channel Blockers.,  84  (8.0): [PMID:34319736] [10.1021/acs.jnatprod.1c00136]

Source

Source(1):

• Scientific Literature