COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086187
Chemical Name: 5-bromo-1'-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Smiles: O=C1N(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(C31OCC(CO3)(Br)[N+](=O)[O-])cccc2

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Molecular Weight: 593.48
Empirical Formula: C29H29BrN4O5

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 7.192
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 91
Number of rings: 6

     

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