IngredientID 75531
Sodium (S)-4-carboxy-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoate
C20H21N8NaO5
Relationship Network
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Ingredient: 1Target: 7Links: 14
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 75531
- Core Entity Id
- 138180
- Source Entity Count
- 1
- Preferred Name
- Sodium (S)-4-carboxy-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C20H21N8NaO5
- Molecular Weight
- 476.1500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sodium (S)-4-carboxy-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Sodium (S)-4-carboxy-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoate
Itcmdb Generated
ITX-INGREDIENT-B64849BD4E2C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
476.150
Molecular Formula
C20H21N8NaO5
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.226