| Drug Name |
US8524917, 60
|
| Synonyms |
SCHEMBL4885528; CHEMBL3639543; JRPPHTCHABUGFY-UHFFFAOYSA-N; BDBM101087; US8524917, 60; 1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
486.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.2 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C28H24F2N4O2
- IUPAC Name
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide - Canonical SMILES
-
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C4=NN=CO4)C(=O)NCC5=CC(=C(C=C5)F)F
- InChI
-
InChI=1S/C28H24F2N4O2/c1-17(2)26-25(27(35)31-14-19-8-11-22(29)23(30)12-19)21-10-9-20(28-33-32-16-36-28)13-24(21)34(26)15-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,31,35)
- InChIKey
-
JRPPHTCHABUGFY-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 59762338
- TTD ID
- D0RL7G
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