General Information of the Compound
| Compound ID |
CP0557895
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| Compound Name |
9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine
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| Structure |
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| Formula |
C23H25N7O2S
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| Molecular Weight |
463.567
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| Canonical SMILES |
C1CCC(C1)n1cnc2c(Nc3ccc(Oc4nccs4)cc3)nc(nc12)N1CCOCC1
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| InChI |
InChI=1S/C23H25N7O2S/c1-2-4-17(3-1)30-15-25-19-20(27-22(28-21(19)30)29-10-12-31-13-11-29)26-16-5-7-18(8-6-16)32-23-24-9-14-33-23/h5-9,14-15,17H,1-4,10-13H2,(H,26,27,28)
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| InChIKey |
ZFOOHCKOTXDSBU-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: PT01092, Platelet-derived growth factor receptor alpha
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000075 | EoL-1 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 347 nM
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TI
LI
LO
TS
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| CL000719 | BJ [Human fibroblast] | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 40000 nM
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TI
LI
LO
TS
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