COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550022
Chemical Name: 4-{5-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3,8'-dioxo-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazolin]-9'-yl]furan-2-yl}benzoicacid
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1ccc(cc1)C(=O)O)n1c(=N2)nc[nH]1)Cl

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Molecular Weight: 602.99
Empirical Formula: C30H23ClN4O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.141
Rotatable bonds: 4
H-donors: 2
H-acceptors: 8
PSA: 152
Number of rings: 7

     

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