General Information of the Compound
Compound ID
CP0480364
Compound Name
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methyl-9H-fluorene-2-carboxamide
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Structure
Formula
C29H34N2O2
Molecular Weight
442.603
Canonical SMILES
CC(C)N(CCOc1ccc(cc1)N(C)C(=O)c1ccc-2c(Cc3ccccc-23)c1)C(C)C
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InChI
InChI=1S/C29H34N2O2/c1-20(2)31(21(3)4)16-17-33-26-13-11-25(12-14-26)30(5)29(32)23-10-15-28-24(19-23)18-22-8-6-7-9-27(22)28/h6-15,19-21H,16-18H2,1-5H3
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InChIKey
CUMWUOMLVIRHMI-UHFFFAOYSA-N
Physicochemical Property
logP
6.032
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 44416402
ChEMBL ID
CHEMBL377541
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 = 398.11 nM
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