General Information of the Compound
| Compound ID |
CP0915694
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| Compound Name |
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)butanamide
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| Structure |
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| Formula |
C22H20F3N3O3
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| Molecular Weight |
431.414
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| Canonical SMILES |
CC(CC(=O)N[C@@H]1C(=O)NC[C@H]1O)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
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| InChI |
InChI=1S/C22H20F3N3O3/c1-10(6-17(30)27-21-16(29)9-26-22(21)31)18-14-7-13(24)8-15(25)20(14)28-19(18)11-2-4-12(23)5-3-11/h2-5,7-8,10,16,21,28-29H,6,9H2,1H3,(H,26,31)(H,27,30)/t10?,16-,21+/m1/s1
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| InChIKey |
BUKWJIDXEIHXMO-ROQVJHNJSA-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