The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
Your company account is blocked and you cannot place orders. If you have questions, please contact your company administrator.
2-[2,6-Dioxo-3-(5-phenoxypentyl)-3,6-dihydropyrimidin-1(2H)-yl]-N-(4-phenoxyphenyl)acetamide ID: ALA3623854
Chembl Id: CHEMBL3623854
PubChem CID: 122192827
Max Phase: Preclinical
Molecular Formula: C29H29N3O5
Molecular Weight: 499.57
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Cn1c(=O)ccn(CCCCCOc2ccccc2)c1=O)Nc1ccc(Oc2ccccc2)cc1
Standard InChI: InChI=1S/C29H29N3O5/c33-27(30-23-14-16-26(17-15-23)37-25-12-6-2-7-13-25)22-32-28(34)18-20-31(29(32)35)19-8-3-9-21-36-24-10-4-1-5-11-24/h1-2,4-7,10-18,20H,3,8-9,19,21-22H2,(H,30,33)
Standard InChI Key: XCIJQVZLERDVOV-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Calculated Properties Molecular Weight: 499.57Molecular Weight (Monoisotopic): 499.2107AlogP: 4.69#Rotatable Bonds: 12Polar Surface Area: 91.56Molecular Species: NEUTRALHBA: 7HBD: 1#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.14CX Basic pKa: ┄CX LogP: 4.67CX LogD: 4.67Aromatic Rings: 4Heavy Atoms: 37QED Weighted: 0.29Np Likeness Score: -1.24
References 1. Babkov DA, Khandazhinskaya AL, Chizhov AO, Andrei G, Snoeck R, Seley-Radtke KL, Novikov MS.. (2015) Toward the discovery of dual HCMV-VZV inhibitors: Synthesis, structure activity relationship analysis, and cytotoxicity studies of long chained 2-uracil-3-yl-N-(4-phenoxyphenyl)acetamides., 23 (21): [PMID:26443550 ] [10.1016/j.bmc.2015.09.033 ]