COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK026146
Chemical Name: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1C(c2ccc(c(c2)OC)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1

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Molecular Weight: 524.66
Empirical Formula: C33H36N2O4

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 7.201
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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