General Information of the Compound
Compound ID
CP0270619
Compound Name
PIPERCHABAMIDE D
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Structure
Formula
C22H31NO3
Molecular Weight
357.494
Canonical SMILES
CC(C)CNC(=O)\C=C\CCCCCC\C=C\c1ccc2OCOc2c1
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InChI
InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)/b11-9+,12-10+
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InChIKey
DOGZABSTLUIXJO-WGDLNXRISA-N
Physicochemical Property
logP
5.0975
Rotatable Bonds
11
Heavy Atom Count
26
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 16041827
SID: 24426044
ChEMBL ID
CHEMBL258114
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: PT03788, Intercellular adhesion molecule 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 83918.43129 nM
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