General Information of the Compound
Compound ID
CP0963410
Compound Name
Rac-Ethyl 2-Amino-7-hydroxy-4-(4-pyridin-2-ylphenyl)-4H-chromene-3-carboxylate
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Structure
Formula
C23H20N2O4
Molecular Weight
388.423
Canonical SMILES
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(-c2ccccn2)cc1
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InChI
InChI=1S/C23H20N2O4/c1-2-28-23(27)21-20(17-11-10-16(26)13-19(17)29-22(21)24)15-8-6-14(7-9-15)18-5-3-4-12-25-18/h3-13,20,26H,2,24H2,1H3
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InChIKey
GWMFRCAQHTXQNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7119
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
94.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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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PubChem ID
CID: 76321842
ChEMBL ID
CHEMBL3125943
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: PT05116, Leucyl-cystinyl aminopeptidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS