General Information of the Compound
Compound ID
CP0514492
Compound Name
2-(pyridin-2-yl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
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Structure
Formula
C25H23N5O2
Molecular Weight
425.492
Canonical SMILES
O=c1n(ccc2oc(cc12)-c1ccccn1)-c1ccc2n(CCN3CCCC3)ncc2c1
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InChI
InChI=1S/C25H23N5O2/c31-25-20-16-24(21-5-1-2-9-26-21)32-23(20)8-12-29(25)19-6-7-22-18(15-19)17-27-30(22)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-17H,3-4,10-11,13-14H2
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InChIKey
OAIIHIKDTQANME-UHFFFAOYSA-N
Physicochemical Property
logP
4.0912
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
69.09
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 25018073
SID: 56361731
ChEMBL ID
CHEMBL1290721
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 59 nM
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