Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68940
- Core Entity Id
- 131589
- Source Entity Count
- 1
- Preferred Name
- 5-Fluorouracil
- Name En
- Pubchem Id
- 3385
- Smiles Canonical
- C1=C(C(=O)NC(=O)N1)F
- Molecular Formula
- C4H3FN2O2
- Molecular Weight
- 130.0200
- Inchikey
- GHASVSINZRGABV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.9000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 58.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Fluorouracil
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-Fluorouracil
Itcmdb Generated
ITX-INGREDIENT-866C04BF778F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
130.020
Molecular Formula
C4H3FN2O2
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.483