| Drug Name |
PMID29671355-Compound-38a
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
316.36 |
|
| Logarithm of the Partition Coefficient (xlogp) |
0.4 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C15H20N6O2
- IUPAC Name
N-hydroxy-7-[pyrazin-2-yl(pyrimidin-5-yl)amino]heptanamide - Canonical SMILES
-
C1=CN=C(C=N1)N(CCCCCCC(=O)NO)C2=CN=CN=C2
- InChI
-
InChI=1S/C15H20N6O2/c22-15(20-23)5-3-1-2-4-8-21(13-9-17-12-18-10-13)14-11-16-6-7-19-14/h6-7,9-12,23H,1-5,8H2,(H,20,22)
- InChIKey
-
SQFSXNZGZJNPJZ-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 121304883
- TTD ID
- D0JR9L
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