1-((2R,4S,5S)-4-(4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl)-5-(phenyltellanylmethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

ID: ALA4746679

Chembl Id: CHEMBL4746679

PubChem CID: 162648416

Max Phase: Preclinical

Molecular Formula: C21H25N5O4Te

Molecular Weight: 539.06

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1cn([C@H]2C[C@H](n3cc(CCCO)nn3)[C@@H](C[Te]c3ccccc3)O2)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C21H25N5O4Te/c1-14-11-25(21(29)22-20(14)28)19-10-17(26-12-15(23-24-26)6-5-9-27)18(30-19)13-31-16-7-3-2-4-8-16/h2-4,7-8,11-12,17-19,27H,5-6,9-10,13H2,1H3,(H,22,28,29)/t17-,18+,19+/m0/s1

Standard InChI Key:  KLVSODJJQFZINJ-IPMKNSEASA-N

Alternative Forms

1. Parent:

   

   ALA4746679

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 539.06

Molecular Weight (Monoisotopic): 541.0969

AlogP:

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CX Basic pKa:

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References

1. Oliveira Rocha AM,Severo Sabedra Sousa F,Mascarenhas Borba V,S Munchen T,Guerin Leal J,Dorneles Rodrigues OE,G Fronza M,Savegnago L,Collares T,Kömmling Seixas F.  (2020)  Evaluation of the effect of synthetic compounds derived from azidothymidine on MDA-MB-231 type breast cancer cells.,  30  (17.0): [PMID:32738968] [10.1016/j.bmcl.2020.127365]

Source

Source(1):

• Scientific Literature