Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 11Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71635
- Core Entity Id
- 134284
- Source Entity Count
- 1
- Preferred Name
- Diprophylline
- Name En
- Pubchem Id
- 3182
- Smiles Canonical
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
- Molecular Formula
- C10H14N4O4
- Molecular Weight
- 254.1000
- Inchikey
- KSCFJBIXMNOVSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.8000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 98.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diprophylline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Diprophylline
Itcmdb Generated
ITX-INGREDIENT-D8B0090017C4
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
254.100
Molecular Formula
C10H14N4O4
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.646