General Information of the Compound
| Compound ID |
CP0558049
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| Compound Name |
3-[4-[[4-[(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methyl]phenyl]methoxy]phenyl]propanoic acid;hydrochloride
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| Structure |
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| Formula |
C28H38ClNO5
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| Molecular Weight |
504.067
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| Canonical SMILES |
Cl.CCOC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
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| InChI |
InChI=1S/C28H37NO5.ClH/c1-2-32-26-13-18-34-28(19-26)14-16-29(17-15-28)20-23-3-5-24(6-4-23)21-33-25-10-7-22(8-11-25)9-12-27(30)31;/h3-8,10-11,26H,2,9,12-21H2,1H3,(H,30,31);1H
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| InChIKey |
IJWGFWAIZIOOEV-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