General Information of the Compound
| Compound ID |
CP0069769
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| Compound Name |
N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
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| Structure |
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| Formula |
C26H24ClN7O2
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| Molecular Weight |
501.978
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| Canonical SMILES |
Clc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
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| InChI |
InChI=1S/C26H24ClN7O2/c27-22-14-17(36-13-10-34-8-11-35-12-9-34)4-5-23(22)31-26-19-6-7-28-15-21(19)18-2-1-3-20(24(18)32-26)25-29-16-30-33-25/h1-7,14-16H,8-13H2,(H,31,32)(H,29,30,33)
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| InChIKey |
SHYCQJRIHDQKDV-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: PT01301, Bcl2-associated agonist of cell death
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 1900 nM
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TI
LI
LO
TS
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| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 30000 nM
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TI
LI
LO
TS
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