General Information of the Compound
| Compound ID |
CP0950523
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| Compound Name |
1-(8-(4-(tert-Pentyl)phenoxy)octyl)azepane hydrogen oxalate
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| Structure |
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| Formula |
C27H45NO5
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| Molecular Weight |
463.659
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCCC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H43NO.C2H2O4/c1-4-25(2,3)23-15-17-24(18-16-23)27-22-14-10-6-5-7-11-19-26-20-12-8-9-13-21-26;3-1(4)2(5)6/h15-18H,4-14,19-22H2,1-3H3;(H,3,4)(H,5,6)
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| InChIKey |
LRRSIECQXVQYCQ-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