General Information of the Compound
| Compound ID |
CP0036283
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| Compound Name |
2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C28H29NO6
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| Molecular Weight |
475.541
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| Canonical SMILES |
CCCc1c(OCCCCOc2cccc(OCC(O)=O)c2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C28H29NO6/c1-2-9-23-25(15-14-24-27(29-35-28(23)24)20-10-4-3-5-11-20)33-17-7-6-16-32-21-12-8-13-22(18-21)34-19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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| InChIKey |
AMWQWEAPDPIRRQ-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