COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904182
Chemical Name: (2Z)-2-cyano-N-(3-methoxypropyl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Smiles: COCCCNC(=O)/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)c1ccccc1)/C#N

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Molecular Weight: 519.62
Empirical Formula: C27H29N5O4S

Physical State: Dry powder
Available Amount: 395 mg

Lipinsky:
logP: 2.954
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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