COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051506
Chemical Name: (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NCc1ccc2c(c1)OCO2)CCC1=CCCCC1

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.171
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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