COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124885
Chemical Name: methyl[4-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Smiles: COC(=O)CC1=CC(=Nc2c(N1)cccc2)SCC(=O)Nc1ccc(cc1)OC

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Molecular Weight: 411.48
Empirical Formula: C21H21N3O4S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 2.903
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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