Details of the Drug

General Information of Drug (ID: DMDT8C9)

Drug Name

SIM-010603

Synonyms

SIM-060301; Tyrosine kinase inhibitors (cancer), Simcere

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C24H29FN4O2
Canonical SMILES: CCN(CC)CCNC(=O)C1=C(NC2=C1CCCC2=C3C4=C(C=CC(=C4)F)NC3=O)C
InChI: 1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-
InChIKey: KGSRYTUWXUESJK-FXBPSFAMSA-N

Cross-matching ID

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.