COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550620
Chemical Name: 3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N-ethyl-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]di
Smiles: CCNC(=O)c1ccc(c(c1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 678.74
Empirical Formula: C38H38N4O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.289
Rotatable bonds: 5
H-donors: 4
H-acceptors: 8
PSA: 165
Number of rings: 7

     

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