| Drug Name |
PMID29757691-Compound-8c
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
408.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.3 |
| Rotatable Bond Count (rotbonds) |
13 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C26H36N2O2
- IUPAC Name
3-(diethylamino)-1-[4-[4-[3-(diethylamino)propanoyl]phenyl]phenyl]propan-1-one - Canonical SMILES
-
CCN(CC)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCN(CC)CC
- InChI
-
InChI=1S/C26H36N2O2/c1-5-27(6-2)19-17-25(29)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(30)18-20-28(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3
- InChIKey
-
BFCHHHLQSJIBJK-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 42602187
- TTD ID
- D0VQ2N
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