COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564764
Chemical Name: 1-{11-[4-(benzyloxy)-3-methoxyphenyl]-1-hydroxy-3,3-dimethyl-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)OCc2ccccc2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 552.71
Empirical Formula: C35H40N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.225
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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