Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71691
- Core Entity Id
- 134340
- Source Entity Count
- 1
- Preferred Name
- Dopargine
- Name En
- Pubchem Id
- 74326234
- Smiles Canonical
- C1CNC(C2=CC(=C(C=C21)O)O)CCCN=C(N)N
- Molecular Formula
- C15H23N3O2
- Molecular Weight
- 277.1800
- Inchikey
- MVWBORHLJRGRRN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H20N4O2/c14-13(15)17-4-1-2-10-9-7-12(19)11(18)6-8(9)3-5-16-10/h6-7,10,16,18-19H,1-5H2,(H4,14,15,17)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.2000
- Num H Donors
- 5
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 117.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dopargine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Dopargine
Itcmdb Generated
ITX-INGREDIENT-8A6CF51B990B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
277.180
Molecular Formula
C15H23N3O2
Fda Maximum Daily Dose (Fdamdd)
0.881
Quantitative Estimate Of Drug Likeness（Qed）
0.549