COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320179
Chemical Name: (3-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}phenyl)[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methanone
Smiles: Cc1cc(C)[nH]/c(=N\c2cccc(c2)C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)/n1

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Molecular Weight: 429.54
Empirical Formula: C21H27N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.758
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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