64296-25-9
AlkaPlorer ID: AK076448
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C1N[C@H]2[C@H](COC([O-])=NS(=O)(=O)O)NC(=N)N3CCC(O)(O)[C@@]23N1
InChI: InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/p-1/t4-,5-,10+/m0/s1
InChIKey: JKKCSFJSULZNDN-PVJDKPRJSA-M
Reference
NPASS: NPC90960
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana verna | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dianthus chinensis | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 378.3470000000001
TPSA？: 226.51
MolLogP？: -4.992259999999996
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|