COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560204
Chemical Name: N-[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-{(5E)-5-[3-(3-{[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]amino}-3-oxopropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolid
Smiles: CCCCc1n[nH]/c(=N\C(=O)CCN2C(=S)S/C(=C\3/SC(=S)N(C3=O)CCC(=O)/N=c/3\[nH]nc(s3)CCCC)/C2=O)/s1

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Molecular Weight: 684.93
Empirical Formula: C24H28N8O4S6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.212
Rotatable bonds: 12
H-donors: 2
H-acceptors: 4
PSA: 313
Number of rings: 4

     

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