COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668918
Chemical Name: N,N'-(quinazoline-2,4-diyldibenzene-4,1-diyl)bis(4-nitro-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzamide)
Smiles: O=C(Nc1cc(ccc1C(=O)Nc1ccc(cc1)c1nc2ccccc2c(n1)c1ccc(cc1)NC(=O)c1ccc(cc1NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 990.9
Empirical Formula: C52H34N10O12

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 12.892
Rotatable bonds: 4
H-donors: 4
H-acceptors: 12
PSA: 325
Number of rings: 8

     

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