COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040796
Chemical Name: 1-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
Smiles: CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1ccccc1OC(CC)C

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Molecular Weight: 596.77
Empirical Formula: C37H44N2O5

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 8.526
Rotatable bonds: 12
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 5

     

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