General Information of the Compound
| Compound ID |
CP0432770
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| Compound Name |
3-[4-[[4-[[4-[[3-(2-methoxyethyl)-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 |
C32H42ClN3O6
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| Molecular Weight |
600.156
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| Canonical SMILES |
Cl.COCCc1noc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
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| InChI |
InChI=1S/C32H41N3O6.ClH/c1-38-18-13-29-33-30(41-34-29)20-27-12-19-40-32(21-27)14-16-35(17-15-32)22-25-2-4-26(5-3-25)23-39-28-9-6-24(7-10-28)8-11-31(36)37;/h2-7,9-10,27H,8,11-23H2,1H3,(H,36,37);1H
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| InChIKey |
PBLCYVJLXHTRFX-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