COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566071
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CCCn1c[nH+]cc1)/[O-])C

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Molecular Weight: 503.6
Empirical Formula: C29H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.774
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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