|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
176
Total Number of Articles : 171
|
| PubChem |
73087
|
| Molecular Formula |
C12H14N4O3 |
| SMILES |
C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N |
| InChI |
InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1 |
| synonyms |
- 3-Deazaneplanocin
- 102052-95-9
- 3-Deazaneplanocin A
- DZNep
- (1s,2r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
- (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
- 3-Deazaneplanocin-A
- CHEMBL154745
- 544SH4020S
- 3-Deaza-neplanocin
- c^Neplanocin A
- 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-
- DZNep;3-Deazaneplanocin
- UNII-544SH4020S
- 3-DeazaneplanocinA
- (1S,2R,5R)-5-(4-AMINOIMIDAZO(4,5-C)PYRIDIN-1-YL)-3-(HYDROXYMETHYL)CYCLOPENT-3-ENE-1,2-DIOL
- 3-Deazaneplanocin A (DZNep
- SCHEMBL863851
- SCHEMBL12280736
- DTXSID30144562
- CHEBI:231299
- AVS-4275
- CEA05295
- BDBM50096906
- AKOS005146283
- CS-0357
- AC-27393
- HY-10442
- BRD-K77791657-001-01-1
- Q15410156
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|
| Properties |
| Property |
Value |
| MW |
262.26 g/mol |
| HBD |
4 |
| HBA |
6 |
| Rotatable Bond Count |
2 |
| Exact Mass |
262.10659032 g/mol |
| Monoisotopic Mass |
262.10659032 g/mol |
| Heavy Atom Count |
19 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
378 |
| xlogp |
-1.7 |
| Topological Polar Surface Area |
117 |
|