General Information of the Compound
| Compound ID |
CP0463891
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| Compound Name |
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CC(=O)Nc1cccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCC[C@@H](N)C2)c1
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| InChI |
InChI=1S/C22H27N3O2/c1-15(26)24-18-8-4-9-19(13-18)27-22-20-10-3-2-6-16(20)12-21(22)25-11-5-7-17(23)14-25/h2-4,6,8-10,13,17,21-22H,5,7,11-12,14,23H2,1H3,(H,24,26)/t17-,21+,22+/m1/s1
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| InChIKey |
NRCOFKRFGMGSLO-WTNAPCKOSA-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