| Drug Name |
3-substituted-2-furancarboxylic acid hydrazide derivative 5
|
| Synonyms |
PMID25828189-Compound-5 |
| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
487.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.2 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C26H21N3O7
- IUPAC Name
N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide - Canonical SMILES
-
CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=C(OC=C3)C(=O)NNC(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]
- InChI
-
InChI=1S/C26H21N3O7/c1-16-2-9-20(10-3-16)36-15-17-4-6-18(7-5-17)21-12-13-35-24(21)26(32)28-27-25(31)19-8-11-23(30)22(14-19)29(33)34/h2-14,30H,15H2,1H3,(H,27,31)(H,28,32)
- InChIKey
-
BTGUVNBWMLTDRT-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 70805956
- TTD ID
- D0YP5U
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