General Information of the Compound
| Compound ID |
CP0553740
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| Compound Name |
2-[(1S)-5-(3-{[3-hydroxy-3-(trifluoromethyl)-2,3-dihydro-1,2-benzoxazol-6-yl]oxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C22H22F3NO6
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| Molecular Weight |
453.413
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4c(ONC4(O)C(F)(F)F)c3)ccc12
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| InChI |
InChI=1S/C22H22F3NO6/c23-22(24,25)21(29)18-7-5-16(12-19(18)32-26-21)31-9-1-8-30-15-4-6-17-13(10-15)2-3-14(17)11-20(27)28/h4-7,10,12,14,26,29H,1-3,8-9,11H2,(H,27,28)/t14-,21?/m0/s1
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| InChIKey |
JXUHAEOELQCJNF-YXWRBFHGSA-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