General Information of the Compound
| Compound ID |
CP0256963
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| Compound Name |
2-[(1S)-5-{3-[4-(1H-indol-6-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C28H27NO4
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| Molecular Weight |
441.527
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc4cc[nH]c4c3)ccc12
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| InChI |
InChI=1S/C28H27NO4/c30-28(31)18-23-5-4-22-16-25(10-11-26(22)23)33-15-1-14-32-24-8-6-19(7-9-24)21-3-2-20-12-13-29-27(20)17-21/h2-3,6-13,16-17,23,29H,1,4-5,14-15,18H2,(H,30,31)/t23-/m0/s1
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| InChIKey |
DIEDSCKQKIQIST-QHCPKHFHSA-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