COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055529
Chemical Name: 11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-N-ethyl-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Smiles: CCNC(=S)N1C(c2ccc(c(c2)OCC)OCc2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 590.19
Empirical Formula: C33H36ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.717
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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