General Information of the Compound
| Compound ID |
CP0119624
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| Compound Name |
(2S,3S,4S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4-diol
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| Structure |
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| Formula |
C22H39NO4
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| Molecular Weight |
381.557
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| Canonical SMILES |
OC[C@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H39NO4/c24-14-19-21(26)20(25)4-6-23(19)5-2-1-3-7-27-15-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-21,24-26H,1-15H2/t16?,17?,18?,19-,20-,21-,22?/m0/s1
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| InChIKey |
VIZUYNYAIYKSCL-YTIGLRCGSA-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