COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK735783
Chemical Name: 2-[(2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}phenyl)sulfanyl]benzonitrile
Smiles: N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 457.55
Empirical Formula: C26H23N3O3S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.818
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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