General Information of the Compound
Compound ID
CP0393123
Compound Name
3-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide
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Structure
Formula
C14H18N4O
Molecular Weight
258.325
Canonical SMILES
NC1CCCC(C1)C(=O)Nc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C14H18N4O/c15-11-3-1-2-9(6-11)14(19)17-12-4-5-13-10(7-12)8-16-18-13/h4-5,7-9,11H,1-3,6,15H2,(H,16,18)(H,17,19)
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InChIKey
VALMSGFREHPGME-UHFFFAOYSA-N
Physicochemical Property
logP
2.0189
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
83.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 63043775
ChEMBL ID
CHEMBL4166956
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 = 22400 nM
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