General Information of the Compound
| Compound ID |
CP0514546
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| Compound Name |
N-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
CC(=O)Nc1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1
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| InChI |
InChI=1S/C21H24N2O2/c1-15(24)22-17-8-10-18(11-9-17)25-21-19-7-3-2-6-16(19)14-20(21)23-12-4-5-13-23/h2-3,6-11,20-21H,4-5,12-14H2,1H3,(H,22,24)/t20-,21-/m0/s1
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| InChIKey |
ARZRDOYPMANLDO-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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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