COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580290
Chemical Name: (2Z)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: CCc1ccc(cc1)c1nc(c(s1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)C

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Molecular Weight: 446.57
Empirical Formula: C26H26N2O3S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 6.169
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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