COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754869
Chemical Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1cccc(c1C)Cl

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Molecular Weight: 423.97
Empirical Formula: C23H22ClN3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.287
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 98
Number of rings: 4

     

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