COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL155582
Chemical Name: 3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-[(pyridin-2-ylmethyl)amino]cyclobut-3-ene-1,2-dione
Smiles: O=C1C(=O)C(=C1NCc1ccccn1)NCCC1=CCCCC1

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Molecular Weight: 311.38
Empirical Formula: C18H21N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.724
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 71
Number of rings: 3

     

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