COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124889
Chemical Name: methyl[4-({1-[(2,5-difluorophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Smiles: CCC(C(=O)Nc1cc(F)ccc1F)SC1=Nc2ccccc2NC(=C1)CC(=O)OC

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Molecular Weight: 445.49
Empirical Formula: C22H21F2N3O3S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.188
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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