General Information of the Compound
| Compound ID |
CP0970117
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| Compound Name |
3-(5,6-difluoro-7-methyl-2-phenyl-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
Cc1c(F)c(F)cc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12
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| InChI |
InChI=1S/C22H21F2N3O3/c1-11-18(24)15(23)9-14-13(20(27-19(11)14)12-5-3-2-4-6-12)7-8-17(29)26-21-16(28)10-25-22(21)30/h2-6,9,16,21,27-28H,7-8,10H2,1H3,(H,25,30)(H,26,29)/t16-,21+/m1/s1
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| InChIKey |
JZJZTEUFRPMFHH-IERDGZPVSA-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