General Information of the Compound
| Compound ID |
CP0482248
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| Compound Name |
4-[[9-(3-hydroxypropyl)-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C23H33N7O3
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| Molecular Weight |
455.563
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| Canonical SMILES |
OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1
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| InChI |
InChI=1S/C23H33N7O3/c31-12-2-1-8-24-23-27-21(20-22(28-23)30(17-25-20)9-3-13-32)26-19-6-4-18(5-7-19)16-29-10-14-33-15-11-29/h4-7,17,31-32H,1-3,8-16H2,(H2,24,26,27,28)
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| InChIKey |
JFBMYNINNITHEP-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 | |
| CL000380 | HCC827 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 10593 nM
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LO
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| CL000719 | BJ [Human fibroblast] | Homo sapiens (Human) | 1 |
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GI50 = 20805 nM
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TI
LI
LO
TS
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