General Information of the Compound
| Compound ID |
CP0035846
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| Compound Name |
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone
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| Structure |
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| Formula |
C24H34N2O2
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| Molecular Weight |
382.548
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| Canonical SMILES |
Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CCO)CC1)C2
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| InChI |
InChI=1S/C24H34N2O2/c1-18-2-4-21(5-3-18)23-13-19-12-20(14-23)16-24(15-19,17-23)22(28)26-8-6-25(7-9-26)10-11-27/h2-5,19-20,27H,6-17H2,1H3
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| InChIKey |
ZKIZNVPLEOOMPU-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