General Information of the Compound
| Compound ID |
CP0193280
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| Compound Name |
8-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
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| Structure |
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
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| InChI |
InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
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| InChIKey |
XDLONFWTAWHJIX-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