COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546498
Chemical Name: 2-[4-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)piperidin-1-yl]pyridine-3-carbonitrile
Smiles: N#Cc1cccnc1N1CCC(CC1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C

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Molecular Weight: 528.56
Empirical Formula: C29H28N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.683
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 152
Number of rings: 5

     

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