General Information of the Compound
| Compound ID |
CP0331683
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| Compound Name |
1-adamantyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
O=C(N1CCN(Cc2ccncc2)CC1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H29N3O/c25-20(21-12-17-9-18(13-21)11-19(10-17)14-21)24-7-5-23(6-8-24)15-16-1-3-22-4-2-16/h1-4,17-19H,5-15H2
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| InChIKey |
IXIHIHLSEUQMIB-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