COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688505
Chemical Name: methyl2-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carboxylate
Smiles: COC(=O)C1=C(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)SC2C1CCCCC2

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Molecular Weight: 459.63
Empirical Formula: C23H29N3O3S2

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 3.091
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 5

     

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