COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789064
Chemical Name: 1-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: CCC(=O)N1C(c2ccc(cc2)F)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccc(cc1)C

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Molecular Weight: 454.54
Empirical Formula: C29H27FN2O2

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 6.382
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 5

     

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