General Information of the Compound
| Compound ID |
CP0533045
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| Compound Name |
[4-(adamantane-1-carbonyl)piperazin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
O=C(N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
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| InChI |
InChI=1S/C22H28N2O2/c25-20(19-4-2-1-3-5-19)23-6-8-24(9-7-23)21(26)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-5,16-18H,6-15H2
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| InChIKey |
GPWQCFMPPCQWRK-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