| Drug Name |
1,2-diamino cyclopentane-based derivative 18
|
| Synonyms |
PMID26593218-Compound-40 |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
454.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C22H20F2N6OS
- IUPAC Name
5-fluoro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-(triazol-2-yl)benzamide - Canonical SMILES
-
CN([C@H]1CCC[C@@H]1NC2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=C(C=CC(=C4)F)N5N=CC=N5
- InChI
-
InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/m0/s1
- InChIKey
-
AWDZNHIULYTTNC-LPHOPBHVSA-N
|
| Cross-matching ID |
- PubChem CID
- 118034891
- TTD ID
- D06NRQ
|
|
|
|
|
|
|
|
