General Information of the Compound
| Compound ID |
CP0428140
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| Compound Name |
2-[(1S)-5-{3-[(1-methyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
Cn1ccc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12
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| InChI |
InChI=1S/C23H25NO4/c1-24-10-9-18-14-20(6-8-22(18)24)28-12-2-11-27-19-5-7-21-16(13-19)3-4-17(21)15-23(25)26/h5-10,13-14,17H,2-4,11-12,15H2,1H3,(H,25,26)/t17-/m0/s1
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| InChIKey |
QHEUOOHYXBVNFY-KRWDZBQOSA-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