| Drug Name |
6EP
|
| Synonyms |
2-{5-[(4-Chloro-2-Methylphenyl)methoxy]-1h-Pyrazol-1-Yl}pyridine-4-Carboxylic Acid; 1613410-75-5; CHEMBL3786952; SCHEMBL15778339; BDBM191600; NCGC00390881-02; QC3611,QC-3611,QC 3611; 2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl)isonicotinic acid (N19); 6EP
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
343.8 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C17H14ClN3O3
- IUPAC Name
2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid - Canonical SMILES
-
CC1=C(C=CC(=C1)Cl)COC2=CC=NN2C3=NC=CC(=C3)C(=O)O
- InChI
-
InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
- InChIKey
-
PSOBPHXKKHPWMU-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 74766595
- TTD ID
- D00SUC
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