General Information of the Compound
| Compound ID |
CP0559389
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| Compound Name |
N-[[2-[(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]-1-(4,4,4-trifluorobutyl)benzimidazol-5-yl]methyl]acetamide
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| Formula |
C25H24F4N4O2
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| Molecular Weight |
488.485
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| Canonical SMILES |
CC(=O)NCc1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
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| InChI |
InChI=1S/C25H24F4N4O2/c1-15(34)30-13-16-3-6-20-19(11-16)31-22(32(20)10-2-7-25(27,28)29)14-33-21-12-17(26)4-5-18(21)24(8-9-24)23(33)35/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,30,34)
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| InChIKey |
FYEKKSUNOUBQRR-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