Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72583
- Core Entity Id
- 135232
- Source Entity Count
- 1
- Preferred Name
- Hydroxychloroquine
- Name En
- Pubchem Id
- 3652
- Smiles Canonical
- CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
- Molecular Formula
- C18H26ClN3O
- Molecular Weight
- 335.1800
- Inchikey
- XXSMGPRMXLTPCZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 48.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxychloroquine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Hydroxychloroquine
Itcmdb Generated
ITX-INGREDIENT-704D7E876C28
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
335.180
Molecular Formula
C18H26ClN3O
Fda Maximum Daily Dose (Fdamdd)
0.230
Quantitative Estimate Of Drug Likeness（Qed）
0.778