COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687270
Chemical Name: 2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CC(C2)(C)C)c1cccc(c1)Cl

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Molecular Weight: 589.21
Empirical Formula: C30H25ClN4OS3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.486
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 164
Number of rings: 6

     

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