General Information of the Compound
| Compound ID |
CP0866459
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| Compound Name |
1-(8-(4-(tert-Pentyl)phenoxy)octyl)piperidine hydrogen oxalate
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| Structure |
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| Formula |
C26H43NO5
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| Molecular Weight |
449.632
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H41NO.C2H2O4/c1-4-24(2,3)22-14-16-23(17-15-22)26-21-13-8-6-5-7-10-18-25-19-11-9-12-20-25;3-1(4)2(5)6/h14-17H,4-13,18-21H2,1-3H3;(H,3,4)(H,5,6)
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| InChIKey |
XTIRUXCLMQLKTK-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