COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL303020
Chemical Name: (6E)-6-{[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(OC)ccc3OC)C)/C2=N)s1

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Molecular Weight: 493.63
Empirical Formula: C26H31N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.103
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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