COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036959
Chemical Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2Z)-4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2(1H)-ylidene]guanidine
Smiles: Cc1ccc(cc1)SCc1cc(O)n/c(=N\C(=N)Nc2ccc3c(c2)OCCO3)/[nH]1

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Molecular Weight: 423.5
Empirical Formula: C21H21N5O3S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.823
Rotatable bonds: 3
H-donors: 4
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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