COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023630
Chemical Name: 4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Smiles: COc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=S)Nc2ccccc2)/C(=O)C1

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Molecular Weight: 492.64
Empirical Formula: C27H32N4O3S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 1.932
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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