COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049911
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/NCCN1CCOCC1

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Molecular Weight: 542.13
Empirical Formula: C26H28ClN5O2S2

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 6.041
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 123
Number of rings: 5

     

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