COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550227
Chemical Name: 4-[6-({(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)-1H-benzimidazol-2-yl]butanoicacid
Smiles: OC(=O)CCCc1[nH]c2c(n1)ccc(c2)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: 545.55
Empirical Formula: C29H27N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.466
Rotatable bonds: 8
H-donors: 5
H-acceptors: 8
PSA: 178
Number of rings: 5

     

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