General Information of the Compound
| Compound ID |
CP0857303
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| Compound Name |
(R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C25H26ClN7O2
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| Molecular Weight |
491.983
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| Canonical SMILES |
CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C25H26ClN7O2/c1-2-21(34)32-11-5-7-18(13-32)33-25-22(24(27)29-15-30-25)23(31-33)16-8-9-20(19(26)12-16)35-14-17-6-3-4-10-28-17/h3-4,6,8-10,12,15,18H,2,5,7,11,13-14H2,1H3,(H2,27,29,30)/t18-/m1/s1
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| InChIKey |
KPWRBPFFYQOVKW-GOSISDBHSA-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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000011 | CHO | Cricetulus griseus (Chinese hamster) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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