General Information of the Compound
| Compound ID |
CP0469723
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| Compound Name |
1-benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
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| Structure |
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| Formula |
C20H30N2O2
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| Molecular Weight |
330.472
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| Canonical SMILES |
C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
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| InChIKey |
SMEIMTHKRVPONN-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