General Information of the Compound
| Compound ID |
CP0038249
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| Compound Name |
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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| InChIKey |
CIYPRIYMRXXGKK-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 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1111 nM
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TI
LI
LO
TS
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