COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK966440
Chemical Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-N-[4-(propan-2-yloxy)benzyl]butan-1-amine
Smiles: CC(Oc1ccc(cc1)CNCCC(c1ccc2c(c1)OCO2)Cc1ccccc1)C

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Saltdata: C2H2O4
Molecular Weight: 417.55
Empirical Formula: C27H31NO3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.925
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 39
Number of rings: 4

     

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