General Information of the Compound
| Compound ID |
CP0083616
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| Compound Name |
6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]-1'-methylspiro[1H-indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C26H25Cl2FN4O2
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| Molecular Weight |
515.416
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| Canonical SMILES |
C[C@@H](Oc1cc(cnc1N)-c1ccc2c(NC(=O)C22CCN(C)CC2)c1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C26H25Cl2FN4O2/c1-14(22-18(27)5-6-19(29)23(22)28)35-21-12-16(13-31-24(21)30)15-3-4-17-20(11-15)32-25(34)26(17)7-9-33(2)10-8-26/h3-6,11-14H,7-10H2,1-2H3,(H2,30,31)(H,32,34)/t14-/m1/s1
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| InChIKey |
PIRWRQQYRXWTII-CQSZACIVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01203, ALK tyrosine kinase receptor
Protein ID: PT01201, Hepatocyte growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000281 | NCI-H1993 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1580 nM
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