COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674845
Chemical Name: methyl2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: N#CC1=C(N)N(C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1sc2c(c1C(=O)OC)CCCCC2

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Molecular Weight: 546.65
Empirical Formula: C29H30N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.155
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 5

     

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