COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055876
Chemical Name: methyl4-[1-hydroxy-3,3-dimethyl-10-(phenylcarbamothioyl)-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(=S)Nc1ccccc1)cccc2)(C)C

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Molecular Weight: 511.64
Empirical Formula: C30H29N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.094
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 5

     

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