COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022868
Chemical Name: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(3,4,5-trimethoxyphenyl)-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(cc2)C(C)(C)C)C1c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 610.79
Empirical Formula: C38H46N2O5

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 8.591
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 5

     

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