General Information of the Compound
Compound ID
CP0486682
Compound Name
N-[(5-chloro-8-hydroxyquinolin-7-yl)-cyclopropylmethyl]propanamide
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Structure
Formula
C16H17ClN2O2
Molecular Weight
304.777
Canonical SMILES
CCC(=O)NC(C1CC1)c1cc(Cl)c2cccnc2c1O
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InChI
InChI=1S/C16H17ClN2O2/c1-2-13(20)19-14(9-5-6-9)11-8-12(17)10-4-3-7-18-15(10)16(11)21/h3-4,7-9,14,21H,2,5-6H2,1H3,(H,19,20)
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InChIKey
UMRBXTIKWRIUQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5711
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44142343
SID: 125320320
ChEMBL ID
CHEMBL1487619
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 25.9 nM
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Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 9861 nM
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