Wikidata entity: Q27467066
C₂₁H₂₂Cl₂FN₅O (P274)
Quantities
| P2067 | mass | 449.119 |
| P233 | canonical SMILES | String | CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N | ??? |
| P31 | instance of | ... | Q113145171 (type of chemical entity) | type of chemical entity |
| P2017 | isomeric SMILES | String | C[C@@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N | ??? |
| P3364 | stereoisomer of | ... | Q5186964 (crizotinib) | crizotinib |
| P279 | subclass of | ... | Q82296813 (critozinib (unspec. stereochem.)) | critozinib (unspec. stereochem.) |
| P683 | ChEBI ID | 77555 |
| P592 | ChEMBL ID | CHEMBL1825141 |
| P661 | ChemSpider ID | 26618871 |
| P595 | Guide to Pharmacology Ligand ID | 7581 |
| P234 | 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-/m0/s1 |
| P235 | InChIKey | KTEIFNKAUNYNJU-LBPRGKRZSA-N |
| P3636 | PDB ligand ID | VHS |
| P638 | PDB structure ID | 4C9X |
| P11199 | Probes And Drugs ID | PD016397 |
| P662 | PubChem CID | 56671814 |
| P1579 | Reaxys registry number | 23379227 |
| P2877 | SureChEMBL ID | 14811801 |
| P11089 | UniChem compound ID | 1116398 |
| P652 | UNII | 4SF5Q86VXC |
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