General Information of the Compound
| Compound ID |
CP0545592
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| Compound Name |
2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)-2-(2-oxopyrrolidin-1-yl)acetamide
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| Structure |
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| Formula |
C29H34F3N3O3
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| Molecular Weight |
529.603
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| Canonical SMILES |
CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCCC1=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C29H34F3N3O3/c1-2-34(28(37)27(35-14-3-5-26(35)36)20-7-9-24(31)25(32)17-20)13-4-12-33-15-10-29(11-16-33)23-18-22(30)8-6-21(23)19-38-29/h6-9,17-18,27H,2-5,10-16,19H2,1H3
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| InChIKey |
WDOXJJKADMHSEE-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