COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL244341
Chemical Name: 2-(octylsulfanyl)-4a,5,6,7,8,8a-hexahydrospiro[1,3-benzoxazin-3-ium-4,1'-cyclohexane]
Smiles: CCCCCCCCSC1=[NH+]C2(C3C(O1)CCCC3)CCCCC2

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Saltdata: I-
Molecular Weight: 352.6
Empirical Formula: C21H38NOS

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 7.905
Rotatable bonds: 8
H-donors: 1
H-acceptors: 1
PSA: 48
Number of rings: 3

     

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