COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261720
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[3-(cyclohexylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/NCCCNC1CCCCC1)c1nc2c(s1)cccc2

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Molecular Weight: 425.6
Empirical Formula: C23H31N5OS

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 4.687
Rotatable bonds: 7
H-donors: 2
H-acceptors: 1
PSA: 97
Number of rings: 4

     

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