General Information of the Compound
Compound ID
CP0206803
Compound Name
(4Z)-4-ethoxyimino-5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-1,3-dihydroquinolin-3-ol
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Structure
Formula
C22H23F2N3O2
Molecular Weight
399.441
Canonical SMILES
CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12
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InChI
InChI=1S/C22H23F2N3O2/c1-5-29-27-20-17-15(26-22(3,4)21(20)28)9-14(23)16(18(17)24)13-8-6-7-12-11(2)10-25-19(12)13/h6-10,21,25-26,28H,5H2,1-4H3/b27-20-
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InChIKey
NMIXBOUDRDWICA-OOAXWGSJSA-N
Physicochemical Property
logP
4.72712
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
69.64
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 136000568
ChEMBL ID
CHEMBL1762210
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  3
1
EC50 = 1.5 nM
   TI
   LI
   LO
   TS
2
EC50 = 115 nM
   TI
   LI
   LO
   TS
3
IC50 = 2.6 nM
   TI
   LI
   LO
   TS
CL000782 297L1 Homo sapiens (Human)  1
1
IC50 = 5.2 nM
   TI
   LI
   LO
   TS