COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK418136
Chemical Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide
Smiles: CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)C1c2ccccc2Oc2c1cccc2)(C)C

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Molecular Weight: 456.61
Empirical Formula: C28H28N2O2S

Physical State: Dry powder
Available Amount: 802 mg

Lipinsky:
logP: 7.356
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 5

     

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