COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299822
Chemical Name: 4-{(E)-[(2E,5xi,9xi,13xi,18xi,19beta)-3-oxo-19,28-epoxyoleanan-2-ylidene]methyl}benzonitrile
Smiles: N#Cc1ccc(cc1)/C=C/1\C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]13C2[C@H](OC1)C(C)(C)CC3)C

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Molecular Weight: 553.83
Empirical Formula: C38H51NO2

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 10.268
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 7

     

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