General Information of the Compound
Compound ID
CP0486160
Compound Name
3-amino-N-[3-(quinolin-8-ylamino)-1H-indazol-5-yl]cyclohexane-1-carboxamide
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Structure
Formula
C23H24N6O
Molecular Weight
400.486
Canonical SMILES
NC1CCCC(C1)C(=O)Nc1ccc2[nH]nc(Nc3cccc4cccnc34)c2c1
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InChI
InChI=1S/C23H24N6O/c24-16-7-1-5-15(12-16)23(30)26-17-9-10-19-18(13-17)22(29-28-19)27-20-8-2-4-14-6-3-11-25-21(14)20/h2-4,6,8-11,13,15-16H,1,5,7,12,24H2,(H,26,30)(H2,27,28,29)
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InChIKey
NMQKWQSHBDMICR-UHFFFAOYSA-N
Physicochemical Property
logP
4.3107
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
108.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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: 145954690
ChEMBL ID
CHEMBL4165390
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 = 589 nM
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