COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149983
Chemical Name: 11-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Smiles: COc1ccc(cc1OC)C1C2=C(Nc3c(N1C(=S)NCC1CCCO1)cccc3)CC(CC2=O)(C)C

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Molecular Weight: 521.68
Empirical Formula: C29H35N3O4S

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 3.547
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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