General Information of the Compound
| Compound ID |
CP0969678
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| Compound Name |
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((3S,5S)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl)propanamide
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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 |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1C[C@@H](CO)NC1=O
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| InChI |
InChI=1S/C22H20F3N3O3/c23-12-3-1-11(2-4-12)20-15(16-7-13(24)8-17(25)21(16)28-20)5-6-19(30)27-18-9-14(10-29)26-22(18)31/h1-4,7-8,14,18,28-29H,5-6,9-10H2,(H,26,31)(H,27,30)/t14-,18-/m0/s1
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| InChIKey |
QHZOFIIZYHESTA-KSSFIOAISA-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