| Drug Name |
US8524917, 11
|
| Synonyms |
SCHEMBL289923; CHEMBL3651714; AFDUGVKJXKJJMO-UHFFFAOYSA-N; BDBM101038; US8524917, 11; US8563594, 169; 1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
476.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
6.6 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C29H30F2N2O2
- IUPAC Name
1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propoxyindole-3-carboxamide - Canonical SMILES
-
CCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC(=C(C=C4)F)F
- InChI
-
InChI=1S/C29H30F2N2O2/c1-4-14-35-22-11-12-23-26(16-22)33(18-20-8-6-5-7-9-20)28(19(2)3)27(23)29(34)32-17-21-10-13-24(30)25(31)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,32,34)
- InChIKey
-
AFDUGVKJXKJJMO-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25059488
- TTD ID
- D0K8FK
|
|
|
|
|
|
|
|
