Responsive image

Common name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine

IUPAC name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine

SMILES

ONC(c1cnccc1)c2ccccc2

Common name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine

IUPAC name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine

SMILES

ONC(c1cnccc1)c2ccccc2

INCHI

InChI=1S/C12H12N2O/c15-14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9,12,14-15H

FORMULA

C12H12N2O

Responsive image

Common name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine

IUPAC name

N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine





Molecular weight

200.236

clogP

1.143

clogS

-2.710

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

33.12

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01053 Ridogrel Responsive image Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4wwp_ligand_2_3.mol2 4wwp 0.636364 -7.60 [C@@H](C)([NH3+])c1cnc2c(Cl)cccc2c1 14
4wwo_ligand_2_3.mol2 4wwo 0.636364 -7.51 [NH3+][C@H](c1cc2cccc(Cl)c2nc1)C 14
4wwn_ligand_2_3.mol2 4wwn 0.61039 -7.30 [NH3+][C@@H](C)c1cc2ccc(F)cc2nc1 14
2igx_ligand_2_11.mol2 2igx 0.548387 -6.60 C(C)c1cccnc1 8
4q1n_ligand_1_5.mol2 4q1n 0.548387 -6.52 c1ccc(cn1)C(C)C 9
4rxc_ligand_2_5.mol2 4rxc 0.548387 -6.30 c1(cccnc1)CC 8
101 , 11