COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536555
Chemical Name: [4-(4-tert-butylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
Smiles: O=C(C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 637.76
Empirical Formula: C38H31N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.48
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 7

     

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