| Drug Name |
US9181182, 47
|
| Synonyms |
SCHEMBL566158; CHEMBL3944892; KVXIWHRSUIQTTC-UHFFFAOYSA-N; BDBM190520; US9181182, 47; 2-Amino-2-((4-(5-(3,4-dipropylphenyl)-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) |
450.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.9 |
| Rotatable Bond Count (rotbonds) |
10 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C26H34N4O3
- IUPAC Name
2-amino-2-[[4-[5-(3,4-dipropylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol - Canonical SMILES
-
CCCC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCN(C4=CC=C3)CC(CO)(CO)N)CCC
- InChI
-
InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3
- InChIKey
-
KVXIWHRSUIQTTC-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 46195606
- TTD ID
- D0U4IE
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