COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549938
Chemical Name: (2S,6'R)-7-chloro-9'-{3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}-4,6-dimethoxy-6'-methyl-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'
Smiles: COc1ccc(cc1OCCc1ccc2c(c1)CCO2)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)N=c2n1[nH]cn2

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Molecular Weight: 685.13
Empirical Formula: C36H33ClN4O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.955
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 129
Number of rings: 8

     

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