General Information of the Compound
| Compound ID |
CP0532328
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| Compound Name |
methyl 3-fluoro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
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| Formula |
C26H25F2N5O4
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| Molecular Weight |
509.513
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4n(ncc4c3=O)-c3ccc(F)cc3)CC2)c(F)c1
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| InChI |
InChI=1S/C26H25F2N5O4/c1-37-25(35)17-2-3-18(22(28)12-17)14-31-10-8-26(36,9-11-31)15-32-16-29-23-21(24(32)34)13-30-33(23)20-6-4-19(27)5-7-20/h2-7,12-13,16,36H,8-11,14-15H2,1H3
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| InChIKey |
HOBONEGVFQCZTM-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