| Drug Name |
US9216972, 61
|
| Synonyms |
SCHEMBL1806497; CHEMBL3908750; BDBM197666; US9216972, 61 |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
497.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.1 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
11 |
| Chemical Identifiers |
- Formula
- C25H18F3N3O5
- IUPAC Name
1-[[3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-chromeno[4,3-c][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid - Canonical SMILES
-
C1C(CN1CC2=CC3=C(C=C2)C4=NOC(=C4CO3)C5=C(C(=NO5)C6=CC=CC=C6)C(F)(F)F)C(=O)O
- InChI
-
InChI=1S/C25H18F3N3O5/c26-25(27,28)19-20(14-4-2-1-3-5-14)29-36-23(19)22-17-12-34-18-8-13(6-7-16(18)21(17)30-35-22)9-31-10-15(11-31)24(32)33/h1-8,15H,9-12H2,(H,32,33)
- InChIKey
-
QUYMGOJIHUGBPQ-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 67168136
- TTD ID
- D06DRH
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