General Information of the Compound
Compound ID
CP0529391
Compound Name
N-[[4-(2-methylpyridin-4-yl)phenyl]methyl]-9H-fluorene-2-carboxamide
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Structure
Formula
C27H22N2O
Molecular Weight
390.486
Canonical SMILES
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)cc1
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InChI
InChI=1S/C27H22N2O/c1-18-14-21(12-13-28-18)20-8-6-19(7-9-20)17-29-27(30)23-10-11-26-24(16-23)15-22-4-2-3-5-25(22)26/h2-14,16H,15,17H2,1H3,(H,29,30)
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InChIKey
GVWXTGPBMLXIOZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.55822
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 134135246
ChEMBL ID
CHEMBL3905740
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 35 nM
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