| Drug Name |
US8563594, 152
|
| Synonyms |
SCHEMBL805680; CHEMBL3651716; PKIXUSGPPGWLFE-UHFFFAOYSA-N; BDBM103603; US8563594, 152; {3-[(5,6-Diphenylpyridin-2-ylmethyl)-amino]-propyl}-phosphonic Acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
382.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
-0.2 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C21H23N2O3P
- IUPAC Name
3-[(5,6-diphenylpyridin-2-yl)methylamino]propylphosphonic acid - Canonical SMILES
-
C1=CC=C(C=C1)C2=C(N=C(C=C2)CNCCCP(=O)(O)O)C3=CC=CC=C3
- InChI
-
InChI=1S/C21H23N2O3P/c24-27(25,26)15-7-14-22-16-19-12-13-20(17-8-3-1-4-9-17)21(23-19)18-10-5-2-6-11-18/h1-6,8-13,22H,7,14-16H2,(H2,24,25,26)
- InChIKey
-
PKIXUSGPPGWLFE-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 44234513
- TTD ID
- D0F4TB
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