General Information of the Compound
| Compound ID |
CP0481379
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| Compound Name |
3-[4-[[4-[[4-(2-pyridin-4-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 |
C33H42Cl2N2O5
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| Molecular Weight |
617.614
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccncc3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C33H40N2O5.2ClH/c36-32(37)10-7-26-5-8-30(9-6-26)39-25-29-3-1-28(2-4-29)24-35-19-15-33(16-20-35)23-27(14-22-40-33)13-21-38-31-11-17-34-18-12-31;;/h1-6,8-9,11-12,17-18,27H,7,10,13-16,19-25H2,(H,36,37);2*1H
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| InChIKey |
ABHGVURUYNRLKH-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