COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK764619
Chemical Name: 7-nitro-3-{[(1E)-2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]amino}-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3-dihydroquinazolin-4(1H)-one
Smiles: CC1=CCC(C1(C)C)CC1Nc2cc(ccc2C(=O)N1/N=C/CC1CC=C(C1(C)C)C)[N+](=O)[O-]

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Molecular Weight: 464.61
Empirical Formula: C27H36N4O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 7.199
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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