COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712809
Chemical Name: (6E)-6-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(c(c3)Cl)Cl)/C2=N)s1)CC

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Molecular Weight: 461.37
Empirical Formula: C21H18Cl2N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.206
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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