COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905208
Chemical Name: (2E)-2-cyano-N-(furan-2-ylmethyl)-3-(3-{3-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC(C1)C)c1ccccc1)/C(=O)NCc1ccco1

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Molecular Weight: 555.66
Empirical Formula: C30H29N5O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.941
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 5

     

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