COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086037
Chemical Name: N-(4-fluorophenyl)-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Smiles: Cc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=S)Nc2ccc(cc2)F)/C(=O)C1

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Molecular Weight: 494.63
Empirical Formula: C27H31FN4O2S

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 2.923
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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