ID: ALA441077

Max Phase: Preclinical

Molecular Formula: C36H34N2O4Si

Molecular Weight: 586.76

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

Standard InChI:  InChI=1S/C36H34N2O4Si/c1-5-36(41)28-20-30-31-26(21-38(30)33(39)27(28)22-42-34(36)40)32(25-18-12-13-19-29(25)37-31)43(35(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-20,41H,5,21-22H2,1-4H3/t36-/m0/s1

Standard InChI Key:  SLBNNQKQBBDRHD-BHVANESWSA-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: 586.76

Molecular Weight (Monoisotopic): 586.2288

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. Josien H, Bom D, Curran DP, Zheng Y, Chou T.  (1997)  7-Silylcamptothecins (silatecans): A new family of camptothecin antitumor agents,  7  (24): [10.1016/S0960-894X(97)10181-0]

Source

Source(1):

• Scientific Literature