General Information of the Compound
| Compound ID |
CP0217689
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| Compound Name |
2-[(1S)-5-{3-[4-(6-methylpyridin-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C26H27NO4
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| Molecular Weight |
417.505
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| Canonical SMILES |
Cc1cccc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1
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| InChI |
InChI=1S/C26H27NO4/c1-18-4-2-5-25(27-18)19-8-10-22(11-9-19)30-14-3-15-31-23-12-13-24-20(16-23)6-7-21(24)17-26(28)29/h2,4-5,8-13,16,21H,3,6-7,14-15,17H2,1H3,(H,28,29)/t21-/m0/s1
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| InChIKey |
JPMPBRCMWMZEJM-NRFANRHFSA-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