COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725804
Chemical Name: 5-cyano-6-{[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C2CCCCC2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)C

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Molecular Weight: 567.78
Empirical Formula: C33H33N3O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 8.229
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 135
Number of rings: 5

     

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