General Information of the Compound
| Compound ID |
CP0309355
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| Compound Name |
1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C17H28N2O2
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| Molecular Weight |
292.423
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| Canonical SMILES |
OCCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H28N2O2/c20-6-5-18-1-3-19(4-2-18)16(21)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,20H,1-12H2
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| InChIKey |
GKVJCGSAQQJJII-UHFFFAOYSA-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1