COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537722
Chemical Name: 3-amino-1,1-bis(butylsulfanyl)-4-phenyl-4,5,6,7,8,9-hexahydro-1H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile
Smiles: CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1=C(CCCC1)NC2c1ccccc1)C#N)N

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Molecular Weight: 493.74
Empirical Formula: C27H35N5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.195
Rotatable bonds: 8
H-donors: 3
H-acceptors: 0
PSA: 148
Number of rings: 4

     

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