COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616943
Chemical Name: methyl2-{3-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=NC(=NC1=O)O)O

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Molecular Weight: 427.48
Empirical Formula: C21H21N3O5S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 4.247
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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