| Drug Name |
PMID29671355-Compound-65a
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
303.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.9 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H21N3OS
- IUPAC Name
N-[5-(quinolin-8-ylamino)pentyl]-2-sulfanylacetamide - Canonical SMILES
-
C1=CC2=C(C(=C1)NCCCCCNC(=O)CS)N=CC=C2
- InChI
-
InChI=1S/C16H21N3OS/c20-15(12-21)18-10-3-1-2-9-17-14-8-4-6-13-7-5-11-19-16(13)14/h4-8,11,17,21H,1-3,9-10,12H2,(H,18,20)
- InChIKey
-
WCTPLVYFIGGBJC-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 126720707
- TTD ID
- D0F3TB
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