ID: ALA4102765

Max Phase: Preclinical

Molecular Formula: C23H32N2O6Si

Molecular Weight: 460.60

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1cn([C@H]2C[C@H](CC3=CC(=O)C(=O)C=C3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C23H32N2O6Si/c1-14-12-25(22(29)24-21(14)28)20-11-16(9-15-7-8-17(26)18(27)10-15)19(31-20)13-30-32(5,6)23(2,3)4/h7-8,10,12,16,19-20H,9,11,13H2,1-6H3,(H,24,28,29)/t16-,19+,20+/m0/s1

Standard InChI Key:  GQOHBKJRQFTRDU-PWIZWCRZSA-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: 460.60

Molecular Weight (Monoisotopic): 460.2030

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. Matsumoto H, Yamashita M, Tahara T, Hayakawa S, Wada SI, Tomioka K, Iida A..  (2017)  Design, synthesis, and evaluation of DNA topoisomerase II-targeted nucleosides.,  25  (15): [PMID:28619446] [10.1016/j.bmc.2017.06.001]

Source

Source(1):

• Scientific Literature