COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537468
Chemical Name: (2E)-N-(4-butoxyphenyl)-2-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}ethanamide
Smiles: CCCCOc1ccc(cc1)NC(=O)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2

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Molecular Weight: 473.53
Empirical Formula: C26H27N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.188
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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