General Information of the Compound
Compound ID
CP0477708
Compound Name
2-[5-(3-methoxyindazol-1-yl)pyridin-3-yl]propan-2-ol
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Structure
Formula
C16H17N3O2
Molecular Weight
283.331
Canonical SMILES
COc1nn(-c2cncc(c2)C(C)(C)O)c2ccccc12
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InChI
InChI=1S/C16H17N3O2/c1-16(2,20)11-8-12(10-17-9-11)19-14-7-5-4-6-13(14)15(18-19)21-3/h4-10,20H,1-3H3
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InChIKey
MXOXOGNZECSPJB-UHFFFAOYSA-N
Physicochemical Property
logP
2.6565
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
60.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 90252809
ChEMBL ID
CHEMBL4070125
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 25 nM
   TI
   LI
   LO
   TS