COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053997
Chemical Name: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCC1=CCCCC1)CCC1=CCCCC1

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Molecular Weight: 387.55
Empirical Formula: C21H29N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.347
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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