COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367858
Chemical Name: 4-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 5.516
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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