General Information of the Compound
| Compound ID |
CP0052114
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| Compound Name |
(4-ethyl-piperazin-1-yl)-(3-hydroxy-adamantan-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 |
CCN1CCN(CC1)C(=O)C12CC3CC(CC(O)(C3)C1)C2
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| InChI |
InChI=1S/C17H28N2O2/c1-2-18-3-5-19(6-4-18)15(20)16-8-13-7-14(9-16)11-17(21,10-13)12-16/h13-14,21H,2-12H2,1H3
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| InChIKey |
ISSDMGAWOQIQGT-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