General Information of the Compound
| Compound ID |
CP0850329
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| Compound Name |
1-[3-(3-(4-tert-Butylphenoxy)propoxy)propyl]-3-methyl piperidine hydrogen oxalate
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| Structure |
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| Formula |
C24H39NO6
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| Molecular Weight |
437.577
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| Canonical SMILES |
CC1CCCN(CCCOCCCOc2ccc(C(C)(C)C)cc2)C1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H37NO2.C2H2O4/c1-19-8-5-13-23(18-19)14-6-15-24-16-7-17-25-21-11-9-20(10-12-21)22(2,3)4;3-1(4)2(5)6/h9-12,19H,5-8,13-18H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
ABSJMJKJHLYCBE-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