General Information of the Compound
| Compound ID |
CP0968695
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| Compound Name |
(S)-3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)-2-methylpropanamide
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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 |
C[C@@H](Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C(=O)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C22H20F3N3O3/c1-10(21(30)28-20-17(29)9-26-22(20)31)6-14-15-7-13(24)8-16(25)19(15)27-18(14)11-2-4-12(23)5-3-11/h2-5,7-8,10,17,20,27,29H,6,9H2,1H3,(H,26,31)(H,28,30)/t10-,17+,20-/m0/s1
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| InChIKey |
VYINBTJUTHARFV-PPJBHMPFSA-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