General Information of the Compound
| Compound ID |
CP0144056
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| Compound Name |
2-[(1S)-5-[3-(4-cyanophenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C#N)ccc12
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| InChI |
InChI=1S/C21H21NO4/c22-14-15-2-6-18(7-3-15)25-10-1-11-26-19-8-9-20-16(12-19)4-5-17(20)13-21(23)24/h2-3,6-9,12,17H,1,4-5,10-11,13H2,(H,23,24)/t17-/m0/s1
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| InChIKey |
AHBPKNKENOKHET-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