COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541840
Chemical Name: 5-(1,2-dithiolan-3-yl)-N-{2-hydroxy-3-[2-(methylsulfanyl)ethyl]-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-7-yl}pentanamide
Smiles: CSCCC1NC(=O)c2c(N=C1O)ccc(c2)NC(=O)CCCCC1SSCC1

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Molecular Weight: 453.65
Empirical Formula: C20H27N3O3S3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.383
Rotatable bonds: 9
H-donors: 3
H-acceptors: 3
PSA: 166
Number of rings: 3

     

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