COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552644
Chemical Name: 3-{[(17,21-dihydroxyajmalan-4-ium-4-yl)acetyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
Smiles: CCC1C2CC3[N+](C1O)(C1C2C(O)C2(C3N(C)c3c2cccc3)C1)CC(=O)OC1CCC2(C(C1)(O)CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)C=O

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Saltdata: Br-
Molecular Weight: 771.97
Empirical Formula: C45H59N2O9

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -2.946
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 153
Number of rings: 12

     

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