General Information of the Compound
| Compound ID |
CP0969689
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| Compound Name |
3-(2-(4-(difluoromethyl)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 |
O=C(CCc1c(-c2ccc(C(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C22H21F2N3O3/c23-21(24)13-7-5-12(6-8-13)19-15(14-3-1-2-4-16(14)26-19)9-10-18(29)27-20-17(28)11-25-22(20)30/h1-8,17,20-21,26,28H,9-11H2,(H,25,30)(H,27,29)/t17-,20+/m1/s1
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| InChIKey |
URYKRFDFZYMIOH-XLIONFOSSA-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