General Information of the Compound
Compound ID
CP0563175
Compound Name
2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
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Structure
Formula
C15H21NO
Molecular Weight
231.339
Canonical SMILES
CCC(C)(C)C(=O)NC1(CC1)c1ccccc1
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InChI
InChI=1S/C15H21NO/c1-4-14(2,3)13(17)16-15(10-11-15)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17)
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InChIKey
WQYRHIARTQCBJJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2281
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 121446742
ChEMBL ID
CHEMBL4095808
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: PT00954, Receptor-interacting serine/threonine-protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 > 5000 nM
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