COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588005
Chemical Name: 4'-amino-7-oxo-2,3,6,6',7,7'-hexahydrospiro[1,4-dioxino[2,3-f]indole-8,2'-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc1c(c3)OCO1

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Molecular Weight: 442.43
Empirical Formula: C24H18N4O5

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.69
Rotatable bonds: 0
H-donors: 3
H-acceptors: 5
PSA: 119
Number of rings: 7

     

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