General Information of the Compound
Compound ID
CP0503481
Compound Name
N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-3-(methoxymethyl)furan-2-carboxamide
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Structure
Formula
C26H29FN2O7
Molecular Weight
500.523
Canonical SMILES
COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c1ccccc1F)c1ccc(OC)cc1OC
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InChI
InChI=1S/C26H29FN2O7/c1-16(30)14-28-25(31)23(19-7-5-6-8-20(19)27)29(21-10-9-18(34-3)13-22(21)35-4)26(32)24-17(15-33-2)11-12-36-24/h5-13,16,23,30H,14-15H2,1-4H3,(H,28,31)/t16-,23?/m1/s1
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InChIKey
FPGMKZRKIUKJOT-ADRQNKRLSA-N
Physicochemical Property
logP
3.4674
Rotatable Bonds
11
Heavy Atom Count
36
Polar Areas
110.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 44590515
ChEMBL ID
CHEMBL469727
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: PT02772, C5a anaphylatoxin chemotactic receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 100 nM
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