COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL233379
Chemical Name: (6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1)C

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Molecular Weight: 532.67
Empirical Formula: C28H32N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.095
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 5

     

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