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
- 65789
- Core Entity Id
- 128438
- Source Entity Count
- 1
- Preferred Name
- (S)-Citalopram
- Name En
- Pubchem Id
- 146570
- Smiles Canonical
- CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
- Molecular Formula
- C20H21FN2O
- Molecular Weight
- 324.1600
- Inchikey
- WSEQXVZVJXJVFP-FQEVSTJZSA-N
- Inchi
- InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 36.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-Citalopram
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(S)-Citalopram
Itcmdb Generated
ITX-INGREDIENT-AE0CE02F5618
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
324.160
Molecular Formula
C20H21FN2O
Fda Maximum Daily Dose (Fdamdd)
0.938
Quantitative Estimate Of Drug Likeness（Qed）
0.839