COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551735
Chemical Name: tert-butyl(2''R,3''R)-2''-(4-nitrophenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate
Smiles: O=C([C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC1(OC2=O)CCCCC1)cccc3)OC(C)(C)C

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Molecular Weight: 561.59
Empirical Formula: C30H31N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.601
Rotatable bonds: 1
H-donors: 0
H-acceptors: 8
PSA: 140
Number of rings: 6

     

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