COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043528
Chemical Name: 1-{3-(3,4-dimethoxyphenyl)-1-hydroxy-11-[4-(trifluoromethyl)phenyl]-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)C1c1ccc(cc1)C(F)(F)F

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Molecular Weight: 592.66
Empirical Formula: C34H35F3N2O4

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 7.773
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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