General Information of the Compound
Compound ID
CP0314008
Compound Name
(S)-N-(4-chlorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxooxazolidin-3-yl)propanamide
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Structure
Formula
C15H19ClN2O4
Molecular Weight
326.78
Canonical SMILES
CC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@@]1(C)O
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InChI
InChI=1S/C15H19ClN2O4/c1-14(2)15(3,21)18(13(20)22-14)9-8-12(19)17-11-6-4-10(16)5-7-11/h4-7,21H,8-9H2,1-3H3,(H,17,19)/t15-/m0/s1
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InChIKey
CIQZHCROWAPQQC-HNNXBMFYSA-N
Physicochemical Property
logP
2.6079
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 7353441
ChEMBL ID
CHEMBL1645318
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS