General Information of the Compound
| Compound ID |
CP0065873
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| Compound Name |
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
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| InChIKey |
IZNAFSDUTMZGSF-LJQANCHMSA-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: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Protein ID: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT00929, Tyrosine-protein kinase HCK
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Protein ID: PT00876, Tyrosine-protein kinase Lck
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 = 4900 nM
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TI
LI
LO
TS
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| CL000091 | MV4-11 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 22 nM
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TI
LI
LO
TS
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