COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280177
Chemical Name: 13-oxo-4-(phenylsulfanyl)-1,2,7,8,9,10,11,13-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-3-carbaldehyde
Smiles: O=CC1=C(Sc2ccccc2)c2c(CC1)c1c(s2)nc2n(c1=O)CCCCC2

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Molecular Weight: 408.55
Empirical Formula: C22H20N2O2S2

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 4.238
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 103
Number of rings: 5

     

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