COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789534
Chemical Name: 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-ylethanimidothioate
Smiles: COc1cc2C(=CC(N3c2c(c1)C(SC(=N)C)(C1=C(O)CC(CC1=O)(C)C)C3=O)(C)C)C

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Molecular Weight: 454.59
Empirical Formula: C25H30N2O4S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.129
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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