| Drug Name |
US8975409, Example 9(3)
|
| Synonyms |
SCHEMBL14839451; CHEMBL3618201; BDBM149705; US8975409, Example 9(3) |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
560.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C31H26F2N2O6
- IUPAC Name
4-[3-(4-fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acid - Canonical SMILES
-
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)F)OC5=CC=C(C=C5)C(=O)O
- InChI
-
InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
- InChIKey
-
PZFBUIYFAFMDBM-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71547555
- TTD ID
- D0PW0R
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