COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683449
Chemical Name: 2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 594.16
Empirical Formula: C29H28ClN5O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.62
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 167
Number of rings: 5

     

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