(4S)-3-(2-((1S,2S,5R,6R,8aR)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-6-hydroxy-5,8a-dimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl)ethylidene)-4-hydroxydihydrofuran-2(3H)-one

ID: ALA5286169

Max Phase: Preclinical

Molecular Formula: C36H48O6Si

Molecular Weight: 604.86

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](OC[C@@]1(C)C2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3O)[C@]2(C)CC[C@H]1O)(c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C36H48O6Si/c1-33(2,3)43(25-12-8-6-9-13-25,26-14-10-7-11-15-26)42-23-35(5)29-18-21-36(24-41-36)30(34(29,4)20-19-31(35)38)17-16-27-28(37)22-40-32(27)39/h6-16,28-31,37-38H,17-24H2,1-5H3/b27-16+/t28-,29?,30+,31-,34-,35+,36-/m1/s1

Standard InChI Key:  FZWGASFAISTFMO-LAOZKMBUSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA5286169

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 604.86

Molecular Weight (Monoisotopic): 604.3220

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. Phull MS, Jadav SS, Gundla R, Mainkar PS..  (2021)  A perspective on medicinal chemistry approaches towards adenomatous polyposis coli and Wnt signal based colorectal cancer inhibitors.,  212  [PMID:33445154] [10.1016/j.ejmech.2020.113149]

Source

Source(1):

• Scientific Literature