General Information of the Compound
Compound ID
CP0478301
Compound Name
3-amino-N-(3-anilino-1H-indazol-5-yl)cyclohexane-1-carboxamide
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Structure
Formula
C20H23N5O
Molecular Weight
349.438
Canonical SMILES
NC1CCCC(C1)C(=O)Nc1ccc2[nH]nc(Nc3ccccc3)c2c1
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InChI
InChI=1S/C20H23N5O/c21-14-6-4-5-13(11-14)20(26)23-16-9-10-18-17(12-16)19(25-24-18)22-15-7-2-1-3-8-15/h1-3,7-10,12-14H,4-6,11,21H2,(H,23,26)(H2,22,24,25)
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InChIKey
IPEPRNJXFDJHFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7625
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
95.83
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 145952213
ChEMBL ID
CHEMBL4171103
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 = 2730 nM
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