COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692207
Chemical Name: N-({5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-3-(2-methyl-1H-indol-3-yl)propan-1-amine
Smiles: COc1c(CC2ON=C(C2)CNCCCc2c(C)[nH]c3c2cccc3)cc(c2c1OCO2)OC

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Saltdata: 0,5(COOH)2
Molecular Weight: 465.55
Empirical Formula: C26H31N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.299
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 86
Number of rings: 5

     

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