| Drug Name |
PMID28092474-Compound-32q
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
413.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.3 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
11 |
| Chemical Identifiers |
- Formula
- C16H11F4N5O2S
- IUPAC Name
4-[[(5-fluoropyridin-2-yl)-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-N-hydroxybenzamide - Canonical SMILES
-
C1=CC(=CC=C1CN(C2=NC=C(C=C2)F)C3=NC(=NS3)C(F)(F)F)C(=O)NO
- InChI
-
InChI=1S/C16H11F4N5O2S/c17-11-5-6-12(21-7-11)25(15-22-14(24-28-15)16(18,19)20)8-9-1-3-10(4-2-9)13(26)23-27/h1-7,27H,8H2,(H,23,26)
- InChIKey
-
XGHLBDLYNQPBIS-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86282451
- TTD ID
- D0TH3L
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