| Drug Name |
SPHINX scaffold, 3
|
| Synonyms |
SPHINX scaffold, 3; SCHEMBL18538650; BDBM221073; US9695160, SPHINX7 |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
487.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C25H28F3N5O2
- IUPAC Name
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide - Canonical SMILES
-
CN(C)CCN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=C(O3)C4=CC=NC=C4
- InChI
-
InChI=1S/C25H28F3N5O2/c1-31(2)11-12-32-13-15-33(16-14-32)21-4-3-19(25(26,27)28)17-20(21)30-24(34)23-6-5-22(35-23)18-7-9-29-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,30,34)
- InChIKey
-
ALLIMXLDTJFWHR-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 73672854
- TTD ID
- D0NY4A
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