General Information of the Compound
Compound ID
CP0476188
Compound Name
N-(1H-benzimidazol-2-ylmethyl)-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
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Structure
Formula
C21H16FN5O2
Molecular Weight
389.39
Canonical SMILES
Fc1ccc2n(CC(=O)NCc3nc4ccccc4[nH]3)c(cc2c1)-c1ncco1
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InChI
InChI=1S/C21H16FN5O2/c22-14-5-6-17-13(9-14)10-18(21-23-7-8-29-21)27(17)12-20(28)24-11-19-25-15-3-1-2-4-16(15)26-19/h1-10H,11-12H2,(H,24,28)(H,25,26)
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InChIKey
VERHZRWOVSXMOW-UHFFFAOYSA-N
Physicochemical Property
logP
3.6281
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
88.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 137657779
ChEMBL ID
CHEMBL4104533
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 113 nM
   TI
   LI
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   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 68750 nM
   TI
   LI
   LO
   TS