Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69805
- Core Entity Id
- 132454
- Source Entity Count
- 1
- Preferred Name
- Adefovir dipivoxil
- Name En
- Pubchem Id
- 60871
- Smiles Canonical
- CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C
- Molecular Formula
- C20H32N5O7P
- Molecular Weight
- 485.2000
- Inchikey
- WOZSCQDILHKSGG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 1
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 167.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adefovir dipivoxil
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Adefovir dipivoxil
Itcmdb Generated
ITX-INGREDIENT-41BA78ADE064
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
485.200
Molecular Formula
C20H32N5O7P
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.212