COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100457
Chemical Name: 4-[1-hydroxy-3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoicacid
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccc(cc3N(C2c2cccs2)C(=O)CCC(=O)O)C)C1)O

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Molecular Weight: 516.62
Empirical Formula: C29H28N2O5S

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 5.198
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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