COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526127
Chemical Name: (8xi,10xi,14xi,17xi,19E)-19-[(2,2-dimethoxyethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: COC(C/N=C/C12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)OC

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Molecular Weight: 491.63
Empirical Formula: C27H41NO7

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0.972
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 117
Number of rings: 5

     

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