| Drug Name |
US9216972, 132
|
| Synonyms |
SCHEMBL1807765; CHEMBL3909064; XVGCLGONKUIZED-UHFFFAOYSA-N; BDBM197672; US9216972, 132; N-(1-cyanocyclopropyl)-2-hydroxy-2-(3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)acetamide
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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): 1 |
Molecular Weight (mw) |
520.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
10 |
| Chemical Identifiers |
- Formula
- C27H19F3N4O4
- IUPAC Name
N-(1-cyanocyclopropyl)-2-hydroxy-2-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]acetamide - Canonical SMILES
-
C1CC2=C(ON=C2C3=C1C=C(C=C3)C(C(=O)NC4(CC4)C#N)O)C5=NOC(=C5C(F)(F)F)C6=CC=CC=C6
- InChI
-
InChI=1S/C27H19F3N4O4/c28-27(29,30)19-21(34-37-23(19)14-4-2-1-3-5-14)24-18-9-6-15-12-16(7-8-17(15)20(18)33-38-24)22(35)25(36)32-26(13-31)10-11-26/h1-5,7-8,12,22,35H,6,9-11H2,(H,32,36)
- InChIKey
-
XVGCLGONKUIZED-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 67168742
- TTD ID
- D0T4SV
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