General Information of the Compound
| Compound ID |
CP0437990
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| Compound Name |
oxalic acid;1-[6-(3-phenylphenoxy)hexyl]piperidine
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| Structure |
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| Formula |
C25H33NO5
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| Molecular Weight |
427.541
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| Canonical SMILES |
OC(=O)C(O)=O.C(CCCN1CCCCC1)CCOc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C23H31NO.C2H2O4/c1(7-16-24-17-8-4-9-18-24)2-10-19-25-23-15-11-14-22(20-23)21-12-5-3-6-13-21;3-1(4)2(5)6/h3,5-6,11-15,20H,1-2,4,7-10,16-19H2;(H,3,4)(H,5,6)
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| InChIKey |
ANGIQLVQLYCAED-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