General Information of the Compound
| Compound ID |
CP0963956
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| Compound Name |
3-(7-(difluoromethyl)-5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H19F4N3O3
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| Molecular Weight |
449.404
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| Canonical SMILES |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(C(F)F)cc(F)cc12)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C22H19F4N3O3/c23-11-3-1-10(2-4-11)18-13(5-6-17(31)28-20-16(30)9-27-22(20)32)14-7-12(24)8-15(21(25)26)19(14)29-18/h1-4,7-8,16,20-21,29-30H,5-6,9H2,(H,27,32)(H,28,31)/t16-,20+/m1/s1
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| InChIKey |
LLXDFYFGVUMKEM-UZLBHIALSA-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