| Drug Name |
US8524917, 12
|
| Synonyms |
SCHEMBL786644; CHEMBL3651715; UJUPJZYUKBFHHO-UHFFFAOYSA-N; BDBM101039; US8524917, 12; US8563594, 170; 1-Benzyl-N-(3,4-difluorobenzyl)-6-isopropoxy-2-isopropyl-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) |
6.5 |
| Rotatable Bond Count (rotbonds) |
8 |
| 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-propan-2-yloxyindole-3-carboxamide - Canonical SMILES
-
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)OC(C)C)C(=O)NCC4=CC(=C(C=C4)F)F
- InChI
-
InChI=1S/C29H30F2N2O2/c1-18(2)28-27(29(34)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(35-19(3)4)15-26(23)33(28)17-20-8-6-5-7-9-20/h5-15,18-19H,16-17H2,1-4H3,(H,32,34)
- InChIKey
-
UJUPJZYUKBFHHO-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25059745
- TTD ID
- D0CV8R
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