COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL453296
Chemical Name: 6-[(4-chlorophenoxy)methyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-[(methylsulfanyl)methyl]-1,2,4-triazin-5(4H)-one
Smiles: CSCn1c(nnc(c1=O)COc1ccc(cc1)Cl)Nc1ccc2c(c1)OCCCO2

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Molecular Weight: 460.94
Empirical Formula: C21H21ClN4O4S

Available Amount: 0 mg

Lipinsky:
logP: 2.798
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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