| Drug Name |
Pyridine-carboximide derivative 2
|
| Synonyms |
PMID25470667-Compound-Figure5-6 |
| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
497.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.1 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C29H27N3O5
- IUPAC Name
3-[[1-[5-[(5-phenylfuran-2-carbonyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid - Canonical SMILES
-
C1CN(CCC1COC2=CC=CC(=C2)C(=O)O)C3=NC=C(C=C3)NC(=O)C4=CC=C(O4)C5=CC=CC=C5
- InChI
-
InChI=1S/C29H27N3O5/c33-28(26-11-10-25(37-26)21-5-2-1-3-6-21)31-23-9-12-27(30-18-23)32-15-13-20(14-16-32)19-36-24-8-4-7-22(17-24)29(34)35/h1-12,17-18,20H,13-16,19H2,(H,31,33)(H,34,35)
- InChIKey
-
FQDLXNVBCMMHLG-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 56837993
- TTD ID
- D05REP
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