General Information of the Compound
Compound ID
CP0092223
Compound Name
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-4-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)pentan-2-ol
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Structure
Formula
C23H27FN2O
Molecular Weight
366.48
Canonical SMILES
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
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InChI
InChI=1S/C23H27FN2O/c1-15-4-7-18(24)11-20(15)22(2,3)14-23(27,17-5-6-17)12-19-10-16-13-25-9-8-21(16)26-19/h4,7-11,13,17,26-27H,5-6,12,14H2,1-3H3
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InChIKey
ACXWUSNNWQQMLC-UHFFFAOYSA-N
Physicochemical Property
logP
5.06192
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 11710364
SID: 16815206
ChEMBL ID
CHEMBL3233280
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
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 2000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM
2 IC50 = 24 nM