COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685949
Chemical Name: (2E)-2-{[amino(iminio)methyl]sulfanyl}-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)prop-2-enoate
Smiles: [O-]C(=O)/C(=C\C1=NC(C)(C)Cc2c1cccc2)/SC(=[NH2+])N

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Molecular Weight: 303.39
Empirical Formula: C15H17N3O2S

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 2.378
Rotatable bonds: 3
H-donors: 4
H-acceptors: 2
PSA: 129
Number of rings: 2

     

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