COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528640
Chemical Name: (3E)-3-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)/C=C/1\CCn2c1nc1ccccc1c2=O

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Molecular Weight: 403.44
Empirical Formula: C22H21N5O3

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 3.138
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 5

     

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