ID: ALA2356991

Max Phase: Preclinical

Molecular Formula: C36H52ClN3O5Si

Molecular Weight: 670.37

Molecule Type: Small molecule

Representations

Canonical SMILES:  C[C@@H]1CN([C@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H]1CN(C)C(=O)c1ccc(Cl)cc1

Standard InChI:  InChI=1S/C36H52ClN3O5Si/c1-24-21-40(25(2)23-44-46(7,8)36(3,4)5)35(43)30-20-29(38-33(41)26-12-10-9-11-13-26)18-19-31(30)45-32(24)22-39(6)34(42)27-14-16-28(37)17-15-27/h14-20,24-26,32H,9-13,21-23H2,1-8H3,(H,38,41)/t24-,25-,32+/m1/s1

Standard InChI Key:  QYVQBRFDXPCDST-VJQVOXFUSA-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: 670.37

Molecular Weight (Monoisotopic): 669.3365

AlogP:

#Rotatable Bonds:

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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. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays