COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590037
Chemical Name: 4'-amino-1-butyl-9',10'-dimethoxy-2-oxo-1,2,6',7'-tetrahydrospiro[indole-3,2'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Smiles: CCCCN1c2ccccc2C2(C1=O)C=C1N(C(=C2C#N)N)CCc2c1cc(OC)c(c2)OC

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Molecular Weight: 456.54
Empirical Formula: C27H28N4O3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.169
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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