COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045273
Chemical Name: methyl[1-hydroxy-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Smiles: COC(=O)CN1C(c2cccs2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 396.51
Empirical Formula: C22H24N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.421
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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