COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045094
Chemical Name: 1-[11-(2-chlorophenyl)-3-(4-fluorophenyl)-1-hydroxy-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)F)C1c1ccccc1Cl

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Molecular Weight: 517.04
Empirical Formula: C31H30ClFN2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.111
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 5

     

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