General Information of the Compound
| Compound ID |
CP0446110
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| Compound Name |
3-[4-[[4-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-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 |
C32H40ClN3O5
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| Molecular Weight |
582.141
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)C3CC3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C32H39N3O5.ClH/c36-30(37)12-7-23-5-10-28(11-6-23)38-22-25-3-1-24(2-4-25)21-35-16-14-32(15-17-35)20-26(13-18-39-32)19-29-33-31(34-40-29)27-8-9-27;/h1-6,10-11,26-27H,7-9,12-22H2,(H,36,37);1H
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| InChIKey |
VOTNGRGNHQTJOW-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