DEDuCT identifier | DED000530 |
---|---|
Pubchem identifier | 11626560 |
CAS identifier | 877399-52-5 |
IUPAC name | Crizotinib |
Category based on type of supporting evidence | Category I |
Broad category based on environmental source | Medicine and Healthcare |
Sub-category based on environmental source | Drugs and Pharmaceuticals |
Chemical kingdom | Organic compounds |
Chemical super-class | Organoheterocyclic compounds |
Chemical class | Pyridines and derivatives |
SMILES | CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N |
InChI | InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 |
InChIKey | KTEIFNKAUNYNJU-GFCCVEGCSA-N |
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