General Information of the Compound
| Compound ID |
CP0460390
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| Compound Name |
2,6-difluoro-N-[[6-(4-propylsulfonylpiperazin-1-yl)spiro[2.5]octan-6-yl]methyl]benzamide
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| Structure |
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| Formula |
C23H33F2N3O3S
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| Molecular Weight |
469.598
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC2(CC2)CC1
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| InChI |
InChI=1S/C23H33F2N3O3S/c1-2-16-32(30,31)28-14-12-27(13-15-28)23(10-8-22(6-7-22)9-11-23)17-26-21(29)20-18(24)4-3-5-19(20)25/h3-5H,2,6-17H2,1H3,(H,26,29)
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| InChIKey |
PVKOWPOYMKXJLS-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