ID: ALA109032

Max Phase: Preclinical

Molecular Formula: C23H22F2N2O4Si

Molecular Weight: 456.52

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1c(F)c(F)ccc1c2[Si](C)(C)C

Standard InChI:  InChI=1S/C23H22F2N2O4Si/c1-5-23(30)14-8-16-18-12(9-27(16)21(28)13(14)10-31-22(23)29)20(32(2,3)4)11-6-7-15(24)17(25)19(11)26-18/h6-8,30H,5,9-10H2,1-4H3/t23-/m0/s1

Standard InChI Key:  QUBXJXHJCFIRGZ-QHCPKHFHSA-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: 456.52

Molecular Weight (Monoisotopic): 456.1317

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