COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538613
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]acetamide
Smiles: COc1cc(CCNC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3c2cccc3)ccc1OC

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Molecular Weight: 437.5
Empirical Formula: C24H27N3O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.866
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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