COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124107
Chemical Name: 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Smiles: COc1cccc(c1)c1nc(SC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC)[nH]c(=O)c1C#N

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Saltdata: HCl
Molecular Weight: 505.62
Empirical Formula: C25H23N5O3S2

Physical State: Dry powder
Available Amount: 550 mg

Lipinsky:
logP: 4.252
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 180
Number of rings: 4

     

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