COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049217
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/NCCCN1CCOCC1

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Molecular Weight: 461.59
Empirical Formula: C25H27N5O2S

Physical State: Dry powder
Available Amount: 367 mg

Lipinsky:
logP: 3.969
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 5

     

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