COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039389
Chemical Name: 1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3ccccc3N(C2c2cccs2)C(=O)C(C)C)C1)O

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Molecular Weight: 502.63
Empirical Formula: C29H30N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.632
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 5

     

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