General Information of the Compound
| Compound ID |
CP0519824
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| Compound Name |
(2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-methylpiperidine-3,4,5-triol
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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 |
C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H39NO4/c1-15-20(25)21(26)19(24)13-23(15)5-3-2-4-6-27-14-22-10-16-7-17(11-22)9-18(8-16)12-22/h15-21,24-26H,2-14H2,1H3/t15-,16?,17?,18?,19+,20-,21-,22?/m1/s1
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| InChIKey |
KXTURQBKONIXJN-LNOKHKNASA-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