General Information of the Compound
| Compound ID |
CP0111480
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| Compound Name |
(2S,3S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
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| Structure |
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| Formula |
C22H37NO3
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| Molecular Weight |
363.542
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| Canonical SMILES |
OC[C@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H37NO3/c24-15-20-21(25)5-4-7-23(20)6-2-1-3-8-26-16-22-12-17-9-18(13-22)11-19(10-17)14-22/h4-5,17-21,24-25H,1-3,6-16H2/t17?,18?,19?,20-,21-,22?/m0/s1
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| InChIKey |
QZLWXAZGLFTHHX-URANKQGBSA-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