COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526096
Chemical Name: (8xi,14xi,17xi,19E)-19-({3-[bis(2-hydroxyethyl)amino]propyl}imino)-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OCCN(CCO)CCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

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Molecular Weight: 548.72
Empirical Formula: C30H48N2O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.073
Rotatable bonds: 13
H-donors: 5
H-acceptors: 7
PSA: 143
Number of rings: 5

     

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