ID: ALA322525

Max Phase: Preclinical

Molecular Formula: C30H40N4O6Si

Molecular Weight: 580.76

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCC(=O)OCc1c([C@@](O)(CC)C(=O)NCCN(C)C)cc2n(c1=O)Cc1c-2nc2ccc(O)cc2c1[Si](C)(C)C

Standard InChI:  InChI=1S/C30H40N4O6Si/c1-8-25(36)40-17-21-22(30(39,9-2)29(38)31-12-13-33(3)4)15-24-26-20(16-34(24)28(21)37)27(41(5,6)7)19-14-18(35)10-11-23(19)32-26/h10-11,14-15,35,39H,8-9,12-13,16-17H2,1-7H3,(H,31,38)/t30-/m0/s1

Standard InChI Key:  FUBSVCHUPSFCAH-PMERELPUSA-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: 580.76

Molecular Weight (Monoisotopic): 580.2717

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