General Information of the Compound
| Compound ID |
CP0543472
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| Compound Name |
3-[4-[[4-[[4-[[4-(trifluoromethyl)phenyl]methoxy]-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 |
C34H39ClF3NO5
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| Molecular Weight |
634.135
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCc3ccc(cc3)C(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C34H38F3NO5.ClH/c35-34(36,37)29-10-5-28(6-11-29)24-42-31-15-20-43-33(21-31)16-18-38(19-17-33)22-26-1-3-27(4-2-26)23-41-30-12-7-25(8-13-30)9-14-32(39)40;/h1-8,10-13,31H,9,14-24H2,(H,39,40);1H
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| InChIKey |
PEXNQIWEJMVMFN-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