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
- 72163
- Core Entity Id
- 134812
- Source Entity Count
- 1
- Preferred Name
- gemcitabine
- Name En
- Pubchem Id
- 60750
- Smiles Canonical
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
- Molecular Formula
- C9H11F2N3O4
- Molecular Weight
- 263.0700
- Inchikey
- SDUQYLNIPVEERB-QPPQHZFASA-N
- Inchi
- InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.5000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 108.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
gemcitabine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
gemcitabine
Itcmdb Generated
ITX-INGREDIENT-2D06C76CB97A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
263.070
Molecular Formula
C9H11F2N3O4
Fda Maximum Daily Dose (Fdamdd)
0.226
Quantitative Estimate Of Drug Likeness（Qed）
0.522