General Information of the Compound
| Compound ID |
CP0481381
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| Compound Name |
3-[4-[[4-[[4-[2-[5-(trifluoromethyl)pyridin-2-yl]oxyethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;dihydrochloride
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| Structure |
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| Formula |
C34H41Cl2F3N2O5
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| Molecular Weight |
685.611
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(cn3)C(F)(F)F)CCO4)cc2)cc1
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| InChI |
InChI=1S/C34H39F3N2O5.2ClH/c35-34(36,37)29-8-11-31(38-22-29)42-19-13-26-14-20-44-33(21-26)15-17-39(18-16-33)23-27-1-3-28(4-2-27)24-43-30-9-5-25(6-10-30)7-12-32(40)41;;/h1-6,8-11,22,26H,7,12-21,23-24H2,(H,40,41);2*1H
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| InChIKey |
FRNZTHQYURLSGI-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