COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124887
Chemical Name: methyl[4-({2-[(2-chloro-3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Smiles: COC(=O)CC1=CC(=Nc2c(N1)cccc2)SCC(=O)Nc1cccc(c1Cl)C

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Molecular Weight: 429.93
Empirical Formula: C21H20ClN3O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.548
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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