COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170844
Chemical Name: (4Z)-2-(4-chlorophenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N1N=C(/C(=C/NC23CN4CN(C3)CN(C2)C4)/C1=O)C

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Molecular Weight: 372.86
Empirical Formula: C18H21ClN6O

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 3.335
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 54
Number of rings: 6

     

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