General Information of the Compound
Compound ID
CP0020429
Compound Name
1-[4-[4-(7-amino-2-phenylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
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Structure
Formula
C23H23N5O2
Molecular Weight
401.47
Canonical SMILES
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1
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InChI
InChI=1S/C23H23N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h2-6,11-14,18H,7-10H2,1H3,(H2,24,25)
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InChIKey
YDPOUAGEIQPNFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.1239
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
90.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 66759520
ChEMBL ID
CHEMBL2407958
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: PT01164, Mitogen-activated protein kinase kinase kinase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 520 nM
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