General Information of the Compound
| Compound ID |
CP0500449
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| Compound Name |
2-[(1S)-5-[3-(1H-indol-5-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3)ccc12
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| InChI |
InChI=1S/C22H23NO4/c24-22(25)14-16-3-2-15-12-18(4-6-20(15)16)26-10-1-11-27-19-5-7-21-17(13-19)8-9-23-21/h4-9,12-13,16,23H,1-3,10-11,14H2,(H,24,25)/t16-/m0/s1
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| InChIKey |
NTVMEMFFWPVNGF-INIZCTEOSA-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