General Information of the Compound
| Compound ID |
CP0481380
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| Compound Name |
3-[4-[[4-[[4-[2-(4-fluorophenoxy)ethyl]-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 |
C34H41ClFNO5
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| Molecular Weight |
598.155
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C34H40FNO5.ClH/c35-30-8-12-31(13-9-30)39-21-15-27-16-22-41-34(23-27)17-19-36(20-18-34)24-28-1-3-29(4-2-28)25-40-32-10-5-26(6-11-32)7-14-33(37)38;/h1-6,8-13,27H,7,14-25H2,(H,37,38);1H
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| InChIKey |
IZVWLDXCJRQZDD-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