Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 18Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73139
- Core Entity Id
- 135788
- Source Entity Count
- 1
- Preferred Name
- lapatinib
- Name En
- Pubchem Id
- 208908
- Smiles Canonical
- CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
- Molecular Formula
- C29H26ClFN4O4S
- Molecular Weight
- 580.1300
- Inchikey
- BCFGMOOMADDAQU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.1000
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 115.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
lapatinib
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
lapatinib
Itcmdb Generated
ITX-INGREDIENT-7D8D32B189C2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
580.130
Molecular Formula
C29H26ClFN4O4S
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.209