COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549655
Chemical Name: 3-[(7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-N-ethyl-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ben
Smiles: CCNC(=O)c1ccc(c(c1)NC1=CC(=O)C2(C(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 673.17
Empirical Formula: C36H37ClN4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.835
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 126
Number of rings: 7

     

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