COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154009
Chemical Name: (6E)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccccc1F)C)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 501.63
Empirical Formula: C28H28FN5OS

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 5.561
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 8

     

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