General Information of the Compound
| Compound ID |
CP0551209
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| Compound Name |
4-[[9-cyclopentyl-6-[3-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C25H35N7O2
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| Molecular Weight |
465.602
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| Canonical SMILES |
OCCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C25H35N7O2/c33-13-4-3-10-26-25-29-23(22-24(30-25)32(18-27-22)21-8-1-2-9-21)28-20-7-5-6-19(16-20)17-31-11-14-34-15-12-31/h5-7,16,18,21,33H,1-4,8-15,17H2,(H2,26,28,29,30)
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| InChIKey |
KUOUBJAAAVPRED-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