General Information of the Compound
Compound ID
CP0464485
Compound Name
4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzamide
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Structure
Formula
C22H22N4O2
Molecular Weight
374.444
Canonical SMILES
NC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21
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InChI
InChI=1S/C22H22N4O2/c23-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-26-7-9-28-10-8-26)1-6-18(17)21(19)25-24-20/h1-6,11H,7-10,12-13H2,(H2,23,27)(H,24,25)
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InChIKey
POQDPXKTMXKNPI-UHFFFAOYSA-N
Physicochemical Property
logP
2.579
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
84.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 10362050
SID: 15375368
ChEMBL ID
CHEMBL390626
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: PT00865, Serine/threonine-protein kinase Chk1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 59000 nM
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