General Information of the Compound
Compound ID
CP0311453
Compound Name
N'-(4-chloro-3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)oxamide
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Structure
Formula
C15H14ClFN4O2
Molecular Weight
336.754
Canonical SMILES
Fc1cc(NC(=O)C(=O)NC2CCc3[nH]ncc3C2)ccc1Cl
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InChI
InChI=1S/C15H14ClFN4O2/c16-11-3-1-10(6-12(11)17)20-15(23)14(22)19-9-2-4-13-8(5-9)7-18-21-13/h1,3,6-7,9H,2,4-5H2,(H,18,21)(H,19,22)(H,20,23)
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InChIKey
CFWCNFQPRSJQPE-UHFFFAOYSA-N
Physicochemical Property
logP
1.8144
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 46199451
SID: 96053390
ChEMBL ID
CHEMBL1645252
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