General Information of the Compound
| Compound ID |
CP0558819
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| Compound Name |
3-[4-[[4-[[4-(2-quinolin-2-yloxyethyl)-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 |
C37H44Cl2N2O5
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| Molecular Weight |
667.674
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc5ccccc5n3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C37H42N2O5.2ClH/c40-36(41)16-11-28-9-13-33(14-10-28)43-27-31-7-5-30(6-8-31)26-39-21-19-37(20-22-39)25-29(18-24-44-37)17-23-42-35-15-12-32-3-1-2-4-34(32)38-35;;/h1-10,12-15,29H,11,16-27H2,(H,40,41);2*1H
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| InChIKey |
DSFSVDCNZNZMEJ-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