COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527481
Chemical Name: (8xi,14xi,17alpha,19E)-19-[(cyanomethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: N#CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O

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Molecular Weight: 442.56
Empirical Formula: C25H34N2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.042
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 123
Number of rings: 5

     

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