General Information of the Compound
| Compound ID |
CP0443907
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| Compound Name |
oxalic acid;1-[6-(4-phenylphenoxy)hexyl]azepane
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| Structure |
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| Formula |
C26H35NO5
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| Molecular Weight |
441.568
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| Canonical SMILES |
OC(=O)C(O)=O.C(CCCN1CCCCCC1)CCOc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C24H33NO.C2H2O4/c1-2-9-19-25(18-8-1)20-10-3-4-11-21-26-24-16-14-23(15-17-24)22-12-6-5-7-13-22;3-1(4)2(5)6/h5-7,12-17H,1-4,8-11,18-21H2;(H,3,4)(H,5,6)
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| InChIKey |
RZQYVYNDFHUCMS-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