COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683680
Chemical Name: 2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1ccccc1Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 568.55
Empirical Formula: C27H23Cl2N5OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.478
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 149
Number of rings: 5

     

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