COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233667
Chemical Name: 2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1[nH]nc(c1c1ccc(cc1)Cl)C

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Molecular Weight: 544.05
Empirical Formula: C30H30ClN5O3

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.378
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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