| Drug Name |
PMID29671355-Compound-22
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
314.34 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C17H18N2O4
- IUPAC Name
N-hydroxy-4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]benzamide - Canonical SMILES
-
C1=CC=C(C=C1)N(CCO)C(=O)CC2=CC=C(C=C2)C(=O)NO
- InChI
-
InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
- InChIKey
-
RFAZNTABYJYOAR-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71532921
- TTD ID
- D0QX3G
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