General Information of the Compound
| Compound ID |
CP0184289
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| Compound Name |
1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
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| Structure |
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| Formula |
C25H26N6O2
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| Molecular Weight |
442.523
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| Canonical SMILES |
Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(C)c4)cc3)c12
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| InChI |
InChI=1S/C25H26N6O2/c1-16-15-20(7-8-22(16)31-11-13-33-14-12-31)28-25(32)27-19-5-3-18(4-6-19)21-9-10-26-24-23(21)17(2)29-30-24/h3-10,15H,11-14H2,1-2H3,(H,26,29,30)(H2,27,28,32)
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| InChIKey |
JJRJKCCMGSERLB-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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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| CL000560 | Ku812 | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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