COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553524
Chemical Name: (4alpha,19E)-4-[2-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]-2,16-didehydrocur-19-en-4-ium-17-al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2

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Saltdata: Cl-
Molecular Weight: 496.59
Empirical Formula: C30H30N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.753
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 75
Number of rings: 7

     

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