COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559218
Chemical Name: 1-[1-hydroxy-3,3-dimethyl-11-(3-propoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1C(c2cccc(c2)OCCC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 474.64
Empirical Formula: C30H38N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.81
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 4

     

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