主记录
Allitinib
- CAS
- 897383-62-9
- PubChem CID
- 24739943
- SMILES
- C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl
- 分子式
- C24H18ClFN4O2
- 分子量
- 448.885
- 精确分子量
- 448.1102
- InChI
- InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)
- InChIKey
- MVZGYPSXNDCANY-UHFFFAOYSA-N
- LogP
- 5.8694
- TPSA
- 76.14
名称与别名
- Allitinib
- AST-1306
- 897383-62-9
- AST1306
- Allitinib tosylate
- AST 1306
- ALL-3
- CX0M5RO7CY
- ALS 1306
- RefChem:110778
- UNII-CX0M5RO7CY
- C24H18ClFN4O2
- D04OLK
- AST-6
- cc-669
- SCHEMBL233985
- DTXSID30647124
- MFCD17169993
- GTPL9912
- orb1308633
- CHEMBL1947204
- SCHEMBL29354831
- SCHEMBL31732812
- CHEBI:91467
- 897383-62-9 (free base)
- ALS1306
- DTXCID10597875
- EX-A047
- QCR-149
- GLXC-15035