COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553509
Chemical Name: (4alpha,19E)-12-hydroxy-4-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-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(=C3Nc1c4cccc1O)C=O)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

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Saltdata: Cl-
Molecular Weight: 524.64
Empirical Formula: C32H34N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.038
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 80
Number of rings: 7

     

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