General Information of the Compound
Compound ID
CP0520902
Compound Name
(1S,2R)-2-(1-Methylhydrazino)-1,2-diphenylethanol
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Structure
Formula
C15H18N2O
Molecular Weight
242.322
Canonical SMILES
CN(N)[C@@H]([C@@H](O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m1/s1
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InChIKey
UZSBWSNIXUXPDF-CABCVRRESA-N
Physicochemical Property
logP
2.2668
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
49.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 9899578
SID: 14868334
ChEMBL ID
CHEMBL1766387
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 330 nM
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