General Information of the Compound
Compound ID
CP0371934
Compound Name
N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
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Structure
Formula
C26H27FN2O5
Molecular Weight
466.509
Canonical SMILES
COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
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InChI
InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1
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InChIKey
YOEOOUFATDSPPW-BPNWFJGMSA-N
Physicochemical Property
logP
3.728
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
88.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 44590445
ChEMBL ID
CHEMBL511782
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 = 63.1 nM
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