General Information of the Compound
Compound ID
CP0016676
Compound Name
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one
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Synonyms
273727-89-2
3-(Benzyl(propan-2-yl)amino)-1-(naphthalen-2-yl)propan-1-one
3-[benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one
AC1L1GQH
AKOS030526763
BDBM81346
CCG-204927
CHEBI:92715
CHEMBL596674
CS-4952
CTK6A9359
GTPL5994
HSCI1_000104
HY-12589A
JSASWRWALCMOQP-UHFFFAOYSA-N
Lopac-Z-4626
Lopac0_000844
M0ZX82000S
M9440 (Me-3,4-dephostatin)
NCGC00016107-02
NCGC00016107-05
NCGC00016107-09
NCGC00025126-01
NCGC00025126-02
SCHEMBL2891331
Tocris-1367
UNII-M0ZX82000S
ZINC1487934
ZM-39923
ZM39923
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Structure
Formula
C23H25NO
Molecular Weight
331.459
Canonical SMILES
CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
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InChI
InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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InChIKey
JSASWRWALCMOQP-UHFFFAOYSA-N
Physicochemical Property
logP
5.3232
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 3797
SID: 15000814
ChEMBL ID
CHEMBL596674
DrugBank ID
DB17064
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 12589.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 11668.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ZM-39923 )
Drug Name ZM-39923
Target(s)
Janus kinase 1 (JAK-1)
 Target Info 
Inhibitor
Janus kinase 3 (JAK-3)
 Target Info 
Inhibitor