General Information of the Compound
Compound ID
CP0411028
Compound Name
N-[(2S)-1-(2-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
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Structure
Formula
C20H24N4O4
Molecular Weight
384.436
Canonical SMILES
NC(=O)c1ccccc1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1
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InChI
InChI=1S/C20H24N4O4/c21-18(25)14-8-4-5-9-15(14)23-19(26)16(12-13-6-2-1-3-7-13)24-20(27)17-10-11-22-28-17/h4-5,8-11,13,16H,1-3,6-7,12H2,(H2,21,25)(H,23,26)(H,24,27)/t16-/m0/s1
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InChIKey
RNJHZHSEYKVTBF-INIZCTEOSA-N
Physicochemical Property
logP
2.481
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
127.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 156013443
ChEMBL ID
CHEMBL4638957
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: PT04124, Proteinase-activated receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 3100 nM
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