COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177292
Chemical Name: (12Z,14E,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-ylacetate
Smiles: COC1/C=C/OC2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\C(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)/C

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Molecular Weight: 695.76
Empirical Formula: C37H45NO12

Physical State: Dry powder
Available Amount: 373 mg

Lipinsky:
logP: 2.874
Rotatable bonds: 6
H-donors: 4
H-acceptors: 12
PSA: 194
Number of rings: 5

     

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