COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675001
Chemical Name: methyl2-[2-amino-3-cyano-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 532.62
Empirical Formula: C28H28N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.59
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 5

     

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