COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904185
Chemical Name: (2Z)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)c1ccccc1)/c1nc2ccccc2c(=O)[nH]1

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Saltdata: 1/5CH3COOH
Molecular Weight: 548.63
Empirical Formula: C30H24N6O3S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.723
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 6

     

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