COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712832
Chemical Name: (6E)-2-(2-cyclohexylethyl)-6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-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)c1cccc(c1C)C)C)CCC1CCCCC1

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Molecular Weight: 487.67
Empirical Formula: C28H33N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.669
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 99
Number of rings: 5

     

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