General Information of the Compound
Compound ID
CP0511068
Compound Name
6-(cyclopropylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
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Structure
Formula
C15H16N4O2
Molecular Weight
284.319
Canonical SMILES
Cc1cc(O)ccc1NC(=O)c1cc(NC2CC2)ncn1
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InChI
InChI=1S/C15H16N4O2/c1-9-6-11(20)4-5-12(9)19-15(21)13-7-14(17-8-16-13)18-10-2-3-10/h4-8,10,20H,2-3H2,1H3,(H,19,21)(H,16,17,18)
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InChIKey
YPFNIUYRUIDNJX-UHFFFAOYSA-N
Physicochemical Property
logP
2.31722
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
87.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 46880712
ChEMBL ID
CHEMBL1081080
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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 20000 nM
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