COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124886
Chemical Name: methyl[4-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Smiles: CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2NC(=C1)CC(=O)OC

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Molecular Weight: 425.51
Empirical Formula: C22H23N3O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.32
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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