COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833634
Chemical Name: (4E)-4-[4-(dimethylamino)benzylidene]-5-(morpholin-4-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN(c1ccc(cc1)/C=C\1/C(=O)N(N=C1N1CCOCC1)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 421.46
Empirical Formula: C22H23N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.556
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 94
Number of rings: 4

     

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