COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537617
Chemical Name: 1-[4-(4-tert-butylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: CC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 575.69
Empirical Formula: C33H29N5O3S

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 6.728
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 6

     

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