COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582061
Chemical Name: (5E)-5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCCCC2)/C1=O)S

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Molecular Weight: 438.55
Empirical Formula: C23H26N4O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.8
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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