General Information of the Compound
| Compound ID |
CP0123552
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| Compound Name |
Indole deriv. 17
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| Structure |
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| Formula |
C24H26ClN5O3
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| Molecular Weight |
467.957
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| Canonical SMILES |
COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C24H26ClN5O3/c1-31-21-12-17-20(13-22(21)33-9-3-6-30-7-10-32-11-8-30)27-15-28-24(17)29-19-5-2-4-16-18(25)14-26-23(16)19/h2,4-5,12-15,26H,3,6-11H2,1H3,(H,27,28,29)
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| InChIKey |
YJBXXVZEYNUBTM-UHFFFAOYSA-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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 980 nM
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