General Information of the Compound
Compound ID
CP0930412
Compound Name
N-(3-amino-1H-indazol-5-yl)piperidine-4-carboxamide
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Structure
Formula
C13H17N5O
Molecular Weight
259.313
Canonical SMILES
Nc1n[nH]c2ccc(NC(=O)C3CCNCC3)cc12
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InChI
InChI=1S/C13H17N5O/c14-12-10-7-9(1-2-11(10)17-18-12)16-13(19)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H,16,19)(H3,14,17,18)
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InChIKey
NWJFFCAOALXQFB-UHFFFAOYSA-N
Physicochemical Property
logP
1.0832
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
95.83
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 145950368
ChEMBL ID
CHEMBL4173259
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: PT02366, Serine/threonine-protein kinase ULK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 560 nM
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