General Information of the Compound
Compound ID
CP0055902
Compound Name
4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}benzamide
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Structure
Formula
C21H20ClN3O5
Molecular Weight
429.86
Canonical SMILES
Clc1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
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InChI
InChI=1S/C21H20ClN3O5/c22-15-3-1-14(2-4-15)20(27)23-11-18-12-25(21(28)30-18)17-7-5-16(6-8-17)24-9-10-29-13-19(24)26/h1-8,18H,9-13H2,(H,23,27)/t18-/m0/s1
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InChIKey
OSNAJFJFYBDJTI-SFHVURJKSA-N
Physicochemical Property
logP
2.4584
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
88.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 9932394
SID: 15225564
ChEMBL ID
CHEMBL196492
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: PT00868, Coagulation factor X
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.58 nM
2 IC50 = 4.07 nM
3 IC50 = 4.27 nM
4 IC50 = 4.38 nM
5 IC50 = 4.43 nM
6 IC50 = 4.55 nM
7 IC50 = 4.59 nM
8 IC50 = 4.6 nM
9 IC50 = 4.77 nM
10 IC50 = 4.92 nM
11 IC50 = 5.47 nM
12 IC50 = 20 nM
13 Kd = 20.9 nM