General Information of the Compound
| Compound ID |
CP0431886
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| Compound Name |
3-[4-[[4-[(4-phenylmethoxy-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 |
C33H40ClNO5
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| Molecular Weight |
566.138
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C33H39NO5.ClH/c35-32(36)15-12-26-10-13-30(14-11-26)37-25-29-8-6-27(7-9-29)23-34-19-17-33(18-20-34)22-31(16-21-39-33)38-24-28-4-2-1-3-5-28;/h1-11,13-14,31H,12,15-25H2,(H,35,36);1H
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| InChIKey |
FHXADSZQKOPTMR-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