COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171833
Chemical Name: N-(1,3-benzothiazol-2-yl)-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: COc1ccc(cc1COc1ccc(cc1F)F)C1C2=C(NC(=C1C(=O)Nc1nc3c(s1)cccc3)C)CC(CC2=O)(C)C

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Molecular Weight: 615.7
Empirical Formula: C34H31F2N3O4S

Physical State: Dry powder
Available Amount: 14 mg

Lipinsky:
logP: 6.727
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 6

     

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