General Information of the Compound
| Compound ID |
CP0400944
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| Compound Name |
3-[4-[[4-[[4-(cyclopropylmethoxy)-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 |
C30H40ClNO5
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| Molecular Weight |
530.105
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCO4)OCC3CC3)cc2)cc1
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| InChI |
InChI=1S/C30H39NO5.ClH/c32-29(33)12-9-23-7-10-27(11-8-23)34-21-25-3-1-24(2-4-25)20-31-16-14-30(15-17-31)19-28(13-18-36-30)35-22-26-5-6-26;/h1-4,7-8,10-11,26,28H,5-6,9,12-22H2,(H,32,33);1H
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| InChIKey |
LURVJVIYNYPVHT-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