General Information of the Compound
| Compound ID |
CP0513838
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| Compound Name |
2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-yloxy)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C24H26N2O4S
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| Molecular Weight |
438.549
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| Canonical SMILES |
CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
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| InChI |
InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
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| InChIKey |
NDSVGELSLGUYIY-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