COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516710
Chemical Name: 1-[(5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCC(CC1)C(=O)N)c1ccccc1

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Saltdata: 1/2CH3COOH
Molecular Weight: 529.66
Empirical Formula: C29H31N5O3S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 4.402
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 5

     

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