COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072805
Chemical Name: 4-{[(2R,3S,4S)-2-ethyl-3-methyl-1-{[4-(propan-2-yl)phenyl]carbonyl}-1,2,3,4-tetrahydroquinolin-4-yl]amino}phenylthiocyanate
Smiles: CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(cc2)SC#N)c2c(N1C(=O)c1ccc(cc1)C(C)C)cccc2

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Molecular Weight: 469.65
Empirical Formula: C29H31N3OS

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 6.789
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 81
Number of rings: 4

     

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