COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549196
Chemical Name: 6-(2,5-dimethyl-1H-pyrrol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]hexan-1-one
Smiles: O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)CCCCCn1c(C)ccc1C

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Molecular Weight: 346.51
Empirical Formula: C21H34N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.712
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 45
Number of rings: 3

     

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