COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028015
Chemical Name: (6E)-6-({1-[2-(2,3-dichlorophenoxy)ethyl]-2,5-dimethyl-1H-indol-3-yl}methylidene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCc1nn2c(=NC(=O)/C(=C/c3c(C)n(c4c3cc(C)cc4)CCOc3cccc(c3Cl)Cl)/C2=N)s1

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Molecular Weight: 554.5
Empirical Formula: C27H25Cl2N5O2S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 6.215
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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