COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868254
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCCc1c[nH]c2c1cccc2)c1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 463.56
Empirical Formula: C27H21N5OS

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 5.556
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 101
Number of rings: 6

     

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