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Structure
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| Relationships |
Total Number of functionally related protein(s) :
44
Total Number of Articles : 86
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| PubChem |
5311179
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| Molecular Formula |
C17H27NO2 |
| SMILES |
CC1=C2CCCC2=C(C=C1)OC[C@H]([C@H](C)NC(C)C)O |
| InChI |
InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1 |
| synonyms |
- CHEMBL1233766
- (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
- (2s,3s)-1-[(7-Methyl-2,3-Dihydro-1h-Inden-4-Yl)oxy]-3-[(1-Methylethyl)amino]butan-2-Ol
- ICI 118,551 HCl
- Ici 118551
- ICI-118551
- JRZ
- GTPL543
- SCHEMBL15058356
- 72795-26-7
- BDBM50532364
- EN300-26618151
- EN300-28336727
- Q27461776
- Z4361219949
- (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(propan-2-yl)amino]butan-2-ol
- 149115-13-9
- rac-(2R,3R)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(propan-2-yl)amino]butan-2-ol
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| Properties |
| Property |
Value |
| MW |
277.4 g/mol |
| HBD |
2 |
| HBA |
3 |
| Rotatable Bond Count |
6 |
| Exact Mass |
277.204179104 g/mol |
| Monoisotopic Mass |
277.204179104 g/mol |
| Heavy Atom Count |
20 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
295 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
41.5 |
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