COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009678
Chemical Name: methyl4-[1-hydroxy-3-(4-methylphenyl)-10-(thiophen-2-ylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1cccs1)cccc2)c1ccc(cc1)C

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Molecular Weight: 548.66
Empirical Formula: C33H28N2O4S

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 7.25
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 6

     

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