COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552658
Chemical Name: 3-{[(17,21-dihydroxyajmalan-4-ium-4-yl)acetyl]oxy}-5,14-dihydroxy-19-methoxy-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)OC

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Molecular Weight: 802
Empirical Formula: C46H61N2O10

Available Amount: 0 mg

Lipinsky:
logP: -2.612
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 163
Number of rings: 12

     

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