COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532566
Chemical Name: 3-benzyl-2-{[(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1[nH]c(CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccccc2)CCCCC4)nc2c1C1(CCCCC1)Cc1c2cccc1

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Molecular Weight: 666.89
Empirical Formula: C42H42N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 11.153
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 9

     

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