COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136907
Chemical Name: 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCOc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CCCCC)cccc3)CC(CC2=O)(C)C

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Molecular Weight: 502.7
Empirical Formula: C32H42N2O3

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 8.01
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 4

     

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