General Information of the Compound
| Compound ID |
CP0128358
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| Compound Name |
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
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| InChI |
InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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| InChIKey |
WRDKHOAPBRCYSS-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: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000034 | Caco-2 | Homo sapiens (Human) | 1 |
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IC50 = 4496 nM
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| CL000323 | LoVo | Homo sapiens (Human) | 1 |
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IC50 = 1870 nM
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