General Information of the Compound
Compound ID
CP0468477
Compound Name
ethyl 7-(diethylamino)-2-oxo-6-phenylchromene-3-carboxylate
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Structure
Formula
C22H23NO4
Molecular Weight
365.429
Canonical SMILES
CCOC(=O)c1cc2cc(-c3ccccc3)c(cc2oc1=O)N(CC)CC
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InChI
InChI=1S/C22H23NO4/c1-4-23(5-2)19-14-20-16(12-17(19)15-10-8-7-9-11-15)13-18(22(25)27-20)21(24)26-6-3/h7-14H,4-6H2,1-3H3
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InChIKey
GCKPHOXYYUDVKW-UHFFFAOYSA-N
Physicochemical Property
logP
4.4829
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
59.75
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 25066493
SID: 56403365
ChEMBL ID
CHEMBL1835806
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 4070 nM
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