COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539829
Chemical Name: 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]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]benzamide
Smiles: CCNC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc2c(c1)OCO2)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 526.59
Empirical Formula: C30H30N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.008
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 6

     

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