| Drug Name |
Azole derivative 6
|
| Synonyms |
PMID25470667-Compound-Figure5-10 |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
439.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.2 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C23H19ClFN3O3
- IUPAC Name
3-[5-[4-(6-chloro-1H-benzimidazol-2-yl)-3-fluorophenyl]pyridin-2-yl]oxy-2,2-dimethylpropanoic acid - Canonical SMILES
-
CC(C)(COC1=NC=C(C=C1)C2=CC(=C(C=C2)C3=NC4=C(N3)C=C(C=C4)Cl)F)C(=O)O
- InChI
-
InChI=1S/C23H19ClFN3O3/c1-23(2,22(29)30)12-31-20-8-4-14(11-26-20)13-3-6-16(17(25)9-13)21-27-18-7-5-15(24)10-19(18)28-21/h3-11H,12H2,1-2H3,(H,27,28)(H,29,30)
- InChIKey
-
VDSPJLXCWHECIK-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71696715
- TTD ID
- D0QT3C
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