COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526282
Chemical Name: (8xi,14xi,17xi,19E)-19-{[4-(furan-2-yl)butan-2-yl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/C(CCc1ccco1)C

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Molecular Weight: 525.69
Empirical Formula: C31H43NO6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.614
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 112
Number of rings: 6

     

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