| Drug Name |
PMID25522065-Compound-11
|
| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
466.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.7 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C24H23ClN4O4
- IUPAC Name
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone - Canonical SMILES
-
C1C(CN1C(=O)C2=NN=C(O2)C3=CC=C(C=C3)Cl)OC4=CC=C(C=C4)CN5CC6(C5)COC6
- InChI
-
InChI=1S/C24H23ClN4O4/c25-18-5-3-17(4-6-18)21-26-27-22(33-21)23(30)29-10-20(11-29)32-19-7-1-16(2-8-19)9-28-12-24(13-28)14-31-15-24/h1-8,20H,9-15H2
- InChIKey
-
OVCNWJXOBLGBEA-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 46937295
- TTD ID
- D03JJW
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