General Information of the Compound
Compound ID
CP0503391
Compound Name
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-9-oxofluorene-2-carboxamide
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Structure
Formula
C28H30N2O3
Molecular Weight
442.559
Canonical SMILES
CC(C)N(CCOc1ccc(NC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1)C(C)C
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InChI
InChI=1S/C28H30N2O3/c1-18(2)30(19(3)4)15-16-33-22-12-10-21(11-13-22)29-28(32)20-9-14-24-23-7-5-6-8-25(23)27(31)26(24)17-20/h5-14,17-19H,15-16H2,1-4H3,(H,29,32)
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InChIKey
VOOLRVWMZSQHEC-UHFFFAOYSA-N
Physicochemical Property
logP
5.6479
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 44416579
ChEMBL ID
CHEMBL215614
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 199.53 nM
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