COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547619
Chemical Name: (2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({(2S)-4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}amino)ethylidene]dib
Smiles: CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C

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Molecular Weight: 647.75
Empirical Formula: C34H37N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.319
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 178
Number of rings: 6

     

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