COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537505
Chemical Name: 3-amino-1,1-bis(butylsulfanyl)-6,7-dimethyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
Smiles: CCCCSC1(SCCCC)N=C(C2(C1(C#N)C(=C(C)NC2c1ccccc1)C)C#N)N

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Molecular Weight: 467.7
Empirical Formula: C25H33N5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.756
Rotatable bonds: 8
H-donors: 3
H-acceptors: 0
PSA: 148
Number of rings: 3

     

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