General Information of the Compound
| Compound ID |
CP0540173
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| Compound Name |
(+/-)-N-(4-chlorophenethyl)-2-((dimethylamino)methyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
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| Structure |
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| Formula |
C26H33ClN2O3
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| Molecular Weight |
457.014
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| Canonical SMILES |
CN(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C26H33ClN2O3/c1-28(2)19-21-5-3-4-6-24(21)25(30)29(16-13-20-7-9-22(27)10-8-20)23-11-14-26(15-12-23)31-17-18-32-26/h3-10,23H,11-19H2,1-2H3
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| InChIKey |
RTYQLZQQYJXVDZ-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