COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592909
Chemical Name: (5E)-5-({2,5-dimethyl-1-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-6-hydroxy-3-(thiophen-2-ylmethyl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)C)/C(=O)N1Cc1cccs1

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Molecular Weight: 519.58
Empirical Formula: C26H25N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.329
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 5

     

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