COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137554
Chemical Name: 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl3-chloro-1-benzothiophene-2-carboxylate
Smiles: O=C1/C(=C/c2ccc(cc2)OC(=O)c2sc3c(c2Cl)cccc3)/C(=O)c2c1cccc2

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Molecular Weight: 444.89
Empirical Formula: C25H13ClO4S

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 7.574
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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