COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457901
Chemical Name: (12aS)-2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(/N=C/c2ccc3c(c2)OCO3)CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2

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Molecular Weight: 402.41
Empirical Formula: C22H18N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.617
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 6

     

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