General Information of the Compound
Compound ID
CP0407926
Compound Name
CHEMBL3764713
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Formula
C16H15N3O5
Molecular Weight
329.312
Canonical SMILES
COC(=O)c1c(N)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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InChI
InChI=1S/C16H15N3O5/c1-19(2)7-4-5-8-9(6-7)24-15-12(18-8)10(16(22)23-3)11(17)13(20)14(15)21/h4-6,21H,17H2,1-3H3
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InChIKey
FVXUWXBHNYJLKU-UHFFFAOYSA-N
Physicochemical Property
logP
1.4332
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
118.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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ChEMBL ID
CHEMBL3764713
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06637, Low-density lipoprotein receptor-related protein 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5230 nM
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