General Information of the Compound
| Compound ID |
CP0099133
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| Compound Name |
1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)-1H-indole-5-carboxylic acid
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| Structure |
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| Formula |
C23H21F3N2O4
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| Molecular Weight |
446.425
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| Canonical SMILES |
CCCc1c(OCCCn2ccc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N2O4/c1-2-4-16-19(8-6-17-20(16)32-27-21(17)23(24,25)26)31-12-3-10-28-11-9-14-13-15(22(29)30)5-7-18(14)28/h5-9,11,13H,2-4,10,12H2,1H3,(H,29,30)
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| InChIKey |
WJPMVXGXXLNBEN-UHFFFAOYSA-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