COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207048
Chemical Name: N-(3,4-dimethylphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Smiles: O=C1CC(C)(C)CC(=C1C(=S)Nc1ccc(c(c1)C)C)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 445.63
Empirical Formula: C27H31N3OS

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 5.999
Rotatable bonds: 4
H-donors: 3
H-acceptors: 1
PSA: 89
Number of rings: 4

     

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