General Information of the Compound
| Compound ID |
CP0408774
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| Compound Name |
2-N-(4-aminobutyl)-9-cyclopentyl-6-N-[4-(4-ethylpiperazin-1-yl)phenyl]purine-2,6-diamine
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| Structure |
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| Formula |
C26H39N9
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| Molecular Weight |
477.661
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1
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| InChI |
InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32)
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| InChIKey |
LLSCMBBLLMNYFT-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay