COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051370
Chemical Name: 5-(4-chlorophenyl)-6-(3-nitrophenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Smiles: Clc1ccc(cc1)C1=NCCNC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C2=O)c1ccccc1

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Molecular Weight: 458.9
Empirical Formula: C25H19ClN4O3

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 4.08
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 5

     

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