COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548027
Chemical Name: 5-cyano-6-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)N2CCc3c(C2)cc(c(c3)OC)OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)C

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Molecular Weight: 586.74
Empirical Formula: C31H30N4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.143
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 157
Number of rings: 5

     

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