COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552378
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-({[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]amino}methylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)CCN/C=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)C

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Molecular Weight: 612.04
Empirical Formula: C30H30ClN3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.735
Rotatable bonds: 7
H-donors: 1
H-acceptors: 9
PSA: 142
Number of rings: 5

     

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