COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170831
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/NC1CCCC1)c1nc2c(s1)cccc2

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Molecular Weight: 326.42
Empirical Formula: C17H18N4OS

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 3.183
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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