| Drug Name |
PMID29671355-Compound-27
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
363.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.8 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C21H21N3O3
- IUPAC Name
(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide - Canonical SMILES
-
CCN1C=NC(=C1C2=CC=C(C=C2)/C=C/C(=O)NO)C3=CC=C(C=C3)OC
- InChI
-
InChI=1S/C21H21N3O3/c1-3-24-14-22-20(16-9-11-18(27-2)12-10-16)21(24)17-7-4-15(5-8-17)6-13-19(25)23-26/h4-14,26H,3H2,1-2H3,(H,23,25)/b13-6+
- InChIKey
-
JRABOCDIAYUFQB-AWNIVKPZSA-N
|
| Cross-matching ID |
- PubChem CID
- 130227480
- TTD ID
- D0V5IQ
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