| Drug Name |
US10174026, Example 2
|
| Synonyms |
SCHEMBL16149258; US10174026, Example 2; FEZIKLVLFANZBD-UHFFFAOYSA-N; BDBM320362; 2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid; 2-phenyl-1H-pyrrolo[3,2-b] pyridine-7-carboxylic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
238.24 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.3 |
| Rotatable Bond Count (rotbonds) |
2 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
3 |
| Chemical Identifiers |
- Formula
- C14H10N2O2
- IUPAC Name
2-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid - Canonical SMILES
-
C1=CC=C(C=C1)C2=CC3=NC=CC(=C3N2)C(=O)O
- InChI
-
InChI=1S/C14H10N2O2/c17-14(18)10-6-7-15-12-8-11(16-13(10)12)9-4-2-1-3-5-9/h1-8,16H,(H,17,18)
- InChIKey
-
FEZIKLVLFANZBD-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86280871
- TTD ID
- D0R2GT
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