General Information of the Compound
Compound ID
CP0538550
Compound Name
N-cyclopropyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
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Structure
Formula
C19H22N4O
Molecular Weight
322.412
Canonical SMILES
O=C(NC1CC1)C1CCN(CC1)c1cncnc1-c1ccccc1
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InChI
InChI=1S/C19H22N4O/c24-19(22-16-6-7-16)15-8-10-23(11-9-15)17-12-20-13-21-18(17)14-4-2-1-3-5-14/h1-5,12-13,15-16H,6-11H2,(H,22,24)
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InChIKey
KAUCBJGFTGHAEU-UHFFFAOYSA-N
Physicochemical Property
logP
2.6386
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
58.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 118450770
ChEMBL ID
CHEMBL4561003
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: PT04604, Cholesterol 24-hydroxylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 44 nM
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