General Information of the Compound
| Compound ID |
CP0204183
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| Compound Name |
2-[(1S)-5-{3-[4-(pyrimidin-5-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C24H24N2O4
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| Molecular Weight |
404.466
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cncnc3)ccc12
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| InChI |
InChI=1S/C24H24N2O4/c27-24(28)13-19-3-2-18-12-22(8-9-23(18)19)30-11-1-10-29-21-6-4-17(5-7-21)20-14-25-16-26-15-20/h4-9,12,14-16,19H,1-3,10-11,13H2,(H,27,28)/t19-/m0/s1
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| InChIKey |
NDYAVUSEOIDPAZ-IBGZPJMESA-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