General Information of the Compound
| Compound ID |
CP0527879
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| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea
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| Structure |
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| Formula |
C24H32F2N6OS
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| Molecular Weight |
490.624
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)30-21-11-10-18(25)15-20(21)26)13-8-6-9-14-34-23-19-16-29-31-22(19)27-17-28-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,30,33)(H,27,28,29,31)
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| InChIKey |
XYWZYKFEWQUCRK-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