Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 10Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72054
- Core Entity Id
- 134703
- Source Entity Count
- 1
- Preferred Name
- Fingolimod hydrochloride
- Name En
- Pubchem Id
- 107969
- Smiles Canonical
- CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl
- Molecular Formula
- C19H34ClNO2
- Molecular Weight
- 343.2300
- Inchikey
- SWZTYAVBMYWFGS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6261
- Num H Donors
- 4
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 66.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fingolimod hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Fingolimod hydrochloride
Itcmdb Generated
ITX-INGREDIENT-2E0B1E6B0683
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
343.230
Molecular Formula
C19H34ClNO2
Fda Maximum Daily Dose (Fdamdd)
0.449
Quantitative Estimate Of Drug Likeness（Qed）
0.519