General Information of the Compound
| Compound ID |
CP0482247
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| Compound Name |
3-[2-(4-aminobutylamino)-6-[4-(morpholin-4-ylmethyl)anilino]purin-9-yl]propan-1-ol
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| Structure |
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| Formula |
C23H34N8O2
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| Molecular Weight |
454.579
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| Canonical SMILES |
NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1
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| InChI |
InChI=1S/C23H34N8O2/c24-8-1-2-9-25-23-28-21(20-22(29-23)31(17-26-20)10-3-13-32)27-19-6-4-18(5-7-19)16-30-11-14-33-15-12-30/h4-7,17,32H,1-3,8-16,24H2,(H2,25,27,28,29)
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| InChIKey |
NHOSOMQFUGMUFF-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