| Drug Name |
Sphinx
|
| Synonyms |
SPHINX; AC1NI3K3; SCHEMBL15648757; US9695160, SPHINX; BDBM221070; ZINC6790230; AKOS001099848; MCULE-7133870197; 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide; 5-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)furan-2-carboxamide; 5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide; 848057-98-7
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
354.32 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.2 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C17H17F3N2O3
- IUPAC Name
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide - Canonical SMILES
-
CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3
- InChI
-
InChI=1S/C17H17F3N2O3/c1-11-2-5-15(25-11)16(23)21-13-10-12(17(18,19)20)3-4-14(13)22-6-8-24-9-7-22/h2-5,10H,6-9H2,1H3,(H,21,23)
- InChIKey
-
FZCPNRVICXFZJR-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 4799939
- TTD ID
- D0LA9D
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