General Information of the Compound
Compound ID
CP0437240
Compound Name
4-[7-chloro-1-(2-hydroxyethyl)-1H-indazol-3-yl]phenol
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Structure
Formula
C15H13ClN2O2
Molecular Weight
288.734
Canonical SMILES
OCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12
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InChI
InChI=1S/C15H13ClN2O2/c16-13-3-1-2-12-14(10-4-6-11(20)7-5-10)17-18(8-9-19)15(12)13/h1-7,19-20H,8-9H2
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InChIKey
HIFJTWWTIMWPIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0546
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
58.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 135494500
SID: 16535732
ChEMBL ID
CHEMBL374799
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000622 HAECT-1 Homo sapiens (Human)  1
1
IC50 = 410 nM
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