| Drug Name |
PMID25435285-Compound-43
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
459.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
6.2 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C24H15F6N3
- IUPAC Name
5-[3-[6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]phenyl]pyridin-2-amine - Canonical SMILES
-
C1=CC(=CC(=C1)C2=NC(=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F)C4=CN=C(C=C4)N
- InChI
-
InChI=1S/C24H15F6N3/c25-23(26,27)19-7-4-14(5-8-19)18-11-20(33-21(12-18)24(28,29)30)16-3-1-2-15(10-16)17-6-9-22(31)32-13-17/h1-13H,(H2,31,32)
- InChIKey
-
VLHFNIFTVTULIS-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60209453
- TTD ID
- D0H2LD
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