COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK627661
Chemical Name: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(2E)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: CSc1n[nH]/c(=N\C(=O)c2nn(c3c2CCCC3)C2CCS(=O)(=O)C2)/s1

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Molecular Weight: 413.55
Empirical Formula: C15H19N5O3S3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 0.449
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 164
Number of rings: 4

     

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