General Information of the Compound
| Compound ID |
CP0234502
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| Compound Name |
2-[(1S)-5-{3-[4-(1H-1,2,4-triazol-1-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-n3cncn3)ccc12
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| InChI |
InChI=1S/C22H23N3O4/c26-22(27)13-17-3-2-16-12-20(8-9-21(16)17)29-11-1-10-28-19-6-4-18(5-7-19)25-15-23-14-24-25/h4-9,12,14-15,17H,1-3,10-11,13H2,(H,26,27)/t17-/m0/s1
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| InChIKey |
AOZIYHRDHCZRJS-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