COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549759
Chemical Name: 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Smiles: CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1CCC2C=C1)C#N)N

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Molecular Weight: 388.6
Empirical Formula: C20H28N4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.086
Rotatable bonds: 8
H-donors: 2
H-acceptors: 0
PSA: 136
Number of rings: 4

     

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