ID: ALA2374228

Max Phase: Preclinical

Molecular Formula: C19H31N3O8Si

Molecular Weight: 457.56

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1cn([C@H]2C[C@H](O[Si]34OC(C)CN(CC(C)O3)CC(C)O4)[C@@H](CO)O2)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C19H31N3O8Si/c1-11-6-22(19(25)20-18(11)24)17-5-15(16(10-23)26-17)30-31-27-12(2)7-21(8-13(3)28-31)9-14(4)29-31/h6,12-17,23H,5,7-10H2,1-4H3,(H,20,24,25)/t12?,13?,14?,15-,16+,17+,31?/m0/s1

Standard InChI Key:  MZGVHEKFKGRQNU-XYWXVOHKSA-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: 457.56

Molecular Weight (Monoisotopic): 457.1880

AlogP:

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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:

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QED Weighted:

Np Likeness Score:

References

1. Black CA, Ucci JW, Vorpagel JS, Mauck MC, Fenlon EE..  (2002)  Stereoselective and improved syntheses and anticancer testing of 3'-O-silatranylthymidines.,  12  (24): [PMID:12443767] [10.1016/s0960-894x(02)00820-x]

Source

Source(1):

• Scientific Literature