General Information of the Compound
| Compound ID |
CP0939946
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| Compound Name |
1-[[(2R,3S)-3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine
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| Structure |
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| Formula |
C22H27NO
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| Molecular Weight |
321.464
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| Canonical SMILES |
c1ccc(CC[C@H]2c3ccccc3O[C@H]2CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H27NO/c1-3-9-18(10-4-1)13-14-20-19-11-5-6-12-21(19)24-22(20)17-23-15-7-2-8-16-23/h1,3-6,9-12,20,22H,2,7-8,13-17H2/t20-,22-/m0/s1
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| InChIKey |
GARPLAIHIRVBJF-UNMCSNQZSA-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