COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533909
Chemical Name: ethyl4-({[(2S,11aS)-2-hydroxy-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2c1cccc2)O

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Molecular Weight: 437.45
Empirical Formula: C23H23N3O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.055
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 4

     

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