General Information of the Compound
| Compound ID |
CP0921851
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| Compound Name |
1-[3-(3-(4-tert-Butylphenoxy)propoxy)propyl]azepane 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 |
CC(C)(C)c1ccc(OCCCOCCCN2CCCCCC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H37NO2.C2H2O4/c1-22(2,3)20-10-12-21(13-11-20)25-19-9-18-24-17-8-16-23-14-6-4-5-7-15-23;3-1(4)2(5)6/h10-13H,4-9,14-19H2,1-3H3;(H,3,4)(H,5,6)
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| InChIKey |
SMFPLTCNUNUIOM-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