| Drug Name |
US9181182, 34
|
| Synonyms |
SCHEMBL565019; CHEMBL3941765; KBLICPOFCCULHE-UHFFFAOYSA-N; BDBM190503; US9181182, 34; 2-Amino-2-((4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)indolin-1-yl)methyl)propane-1,3-diol |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
454.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.9 |
| Rotatable Bond Count (rotbonds) |
10 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C24H30N4O5
- IUPAC Name
2-amino-2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol - Canonical SMILES
-
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCN(C4=CC=C3)CC(CO)(CO)N)OCC
- InChI
-
InChI=1S/C24H30N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-9,12,29-30H,3-4,10-11,13-15,25H2,1-2H3
- InChIKey
-
KBLICPOFCCULHE-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 45255648
- TTD ID
- D0MH3Y
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