COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052577
Chemical Name: (6E)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccccc3Cl)/C2=N)s1

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Molecular Weight: 454.98
Empirical Formula: C23H23ClN4O2S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.92
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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