General Information of the Compound
Compound ID
CP0117351
Compound Name
(S)-3-(3-(4-chlorophenoxy)-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
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Structure
Formula
C14H17ClN2O4
Molecular Weight
312.753
Canonical SMILES
CC1(C)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2)C1=O
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InChI
InChI=1S/C14H17ClN2O4/c1-14(2)12(19)17(13(20)16-14)7-10(18)8-21-11-5-3-9(15)4-6-11/h3-6,10,18H,7-8H2,1-2H3,(H,16,20)/t10-/m0/s1
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InChIKey
WIRPBOJLPYLZNN-JTQLQIEISA-N
Physicochemical Property
logP
1.4101
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 673980
ChEMBL ID
CHEMBL1645321
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