COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755040
Chemical Name: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C)c1ccc(cc1)OC

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Molecular Weight: 461.63
Empirical Formula: C27H31N3O2S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 5.001
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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