General Information of the Compound
| Compound ID |
CP0849831
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| Compound Name |
1-(5-(4-(tert-Pentyl)phenoxy)pentyl)piperidine hydrogen oxalate
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| Structure |
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| Formula |
C23H37NO5
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| Molecular Weight |
407.551
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H35NO.C2H2O4/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-6-9-17-22-15-7-5-8-16-22;3-1(4)2(5)6/h11-14H,4-10,15-18H2,1-3H3;(H,3,4)(H,5,6)
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| InChIKey |
DYQKZZWMARYVQW-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