COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042547
Chemical Name: methyl2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Smiles: COC(=O)C1=C(N)OC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 405.83
Empirical Formula: C20H20ClNO6

Physical State: Dry powder
Available Amount: 430 mg

Lipinsky:
logP: 2.825
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 97
Number of rings: 4

     

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