| Drug Name |
US8524917, 10
|
| Synonyms |
SCHEMBL291250; CHEMBL3651713; HYKLZEZGHJEJET-UHFFFAOYSA-N; BDBM101037; US8524917, 10; US8563594, 168; 1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
462.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
6.1 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C28H28F2N2O2
- IUPAC Name
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-ethoxy-2-propan-2-ylindole-3-carboxamide - Canonical SMILES
-
CCOC1=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/C28H28F2N2O2/c1-4-34-21-11-12-22-25(15-21)32(17-19-8-6-5-7-9-19)27(18(2)3)26(22)28(33)31-16-20-10-13-23(29)24(30)14-20/h5-15,18H,4,16-17H2,1-3H3,(H,31,33)
- InChIKey
-
HYKLZEZGHJEJET-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25059487
- TTD ID
- D0S0MC
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