General Information of the Compound
| Compound ID |
CP0519596
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| Compound Name |
3-[4-[[4-[[4-(2-pyrimidin-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 |
C32H41Cl2N3O5
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| Molecular Weight |
618.602
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncccn3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C32H39N3O5.2ClH/c36-30(37)11-8-25-6-9-29(10-7-25)39-24-28-4-2-27(3-5-28)23-35-18-14-32(15-19-35)22-26(13-21-40-32)12-20-38-31-33-16-1-17-34-31;;/h1-7,9-10,16-17,26H,8,11-15,18-24H2,(H,36,37);2*1H
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| InChIKey |
KPPTXZMVNWWADF-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