COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149083
Chemical Name: N-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]histidine
Smiles: OC(=O)C(Cc1c[nH]cn1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)C)S

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Molecular Weight: 427.48
Empirical Formula: C20H21N5O4S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.402
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 166
Number of rings: 3

     

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