General Information of the Compound
| Compound ID |
CP0970104
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| Compound Name |
[(3R,4S)-4-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino/-5-oxo-pyrrolidin-3-yl]acetate
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
CC(=O)O[C@@H]1CNC(=O)[C@H]1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
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| InChI |
InChI=1S/C23H20F3N3O4/c1-11(30)33-18-10-27-23(32)22(18)28-19(31)7-6-15-16-8-14(25)9-17(26)21(16)29-20(15)12-2-4-13(24)5-3-12/h2-5,8-9,18,22,29H,6-7,10H2,1H3,(H,27,32)(H,28,31)/t18-,22+/m1/s1
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| InChIKey |
KRJBFNIEKCCEIZ-GCJKJVERSA-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