COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL454175
Chemical Name: calcium(6E)-7-{4'-fluoro-5-[methyl(methylsulfonyl)amino]-3-(propan-2-yl)biphenyl-2-yl}-3,5-dihydroxyhept-6-enoate(6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5
Smiles: OC(CC(CC(=O)O[Ca]OC(=O)CC(CC(/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O)O)O)/C=C/c1c(cc(cc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C

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Molecular Weight: 999.18
Empirical Formula: C46H56CaF2N4O12S2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 22
H-donors: 4
H-acceptors: 12
PSA: 250
Number of rings: 4

     

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