COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557398
Chemical Name: (6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccc(cc1)OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1)C

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Molecular Weight: 543.71
Empirical Formula: C29H29N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.334
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 133
Number of rings: 5

     

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