General Information of the Compound
Compound ID
CP0451580
Compound Name
(NE)-N-(1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
CC1C(N(C)C(C\C1=N/O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H22N2O/c1-14-17(20-22)13-18(15-9-5-3-6-10-15)21(2)19(14)16-11-7-4-8-12-16/h3-12,14,18-19,22H,13H2,1-2H3/b20-17+
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InChIKey
WRZFUOOSXMQGBT-LVZFUZTISA-N
Physicochemical Property
logP
4.2708
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
35.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 5333825
ChEMBL ID
CHEMBL2147675
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5011.87 nM
   TI
   LI
   LO
   TS