COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531813
Chemical Name: 2,2'-(butane-1,4-diyldisulfanediyl)bis[3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one]
Smiles: O=c1n(c(SCCCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2C)CCCCC4)nc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1C

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Molecular Weight: 831.16
Empirical Formula: C52H54N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 15.228
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 10

     

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