COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563278
Chemical Name: (E)-{4,5-dioxo-1-[2-(piperazin-1-ium-1-yl)ethyl]-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+]1CCNCC1)/[O-])C

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Molecular Weight: 455.58
Empirical Formula: C24H29N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.562
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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