General Information of the Compound
| Compound ID |
CP0287737
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| Compound Name |
[4-(2-methoxyethyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone
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| Structure |
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| Formula |
C25H36N2O2
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| Molecular Weight |
396.575
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| Canonical SMILES |
COCCN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1
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| InChI |
InChI=1S/C25H36N2O2/c1-19-3-5-22(6-4-19)24-14-20-13-21(15-24)17-25(16-20,18-24)23(28)27-9-7-26(8-10-27)11-12-29-2/h3-6,20-21H,7-18H2,1-2H3
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| InChIKey |
BSZOCOACUXDBOE-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