General Information of the Compound
Compound ID |
CP0514473
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Compound Name |
3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
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Structure |
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Formula |
C22H24N2O3
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Molecular Weight |
364.445
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Canonical SMILES |
O=C1OCCN1c1cccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c1
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InChI |
InChI=1S/C22H24N2O3/c25-22-24(12-13-26-22)17-7-5-8-18(15-17)27-21-19-9-2-1-6-16(19)14-20(21)23-10-3-4-11-23/h1-2,5-9,15,20-21H,3-4,10-14H2/t20-,21-/m0/s1
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InChIKey |
ARBQZRTYZNKOMB-SFTDATJTSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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