General Information of the Compound
| Compound ID |
CP0171368
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| Compound Name |
2-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)-1H-indazol-5-yl)acetic acid
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| Structure |
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| Formula |
C23H22F3N3O4
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| Molecular Weight |
461.44
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| Canonical SMILES |
CCCc1c(OCCCn2ncc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N3O4/c1-2-4-16-19(8-6-17-21(16)33-28-22(17)23(24,25)26)32-10-3-9-29-18-7-5-14(12-20(30)31)11-15(18)13-27-29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,30,31)
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| InChIKey |
ZFCIXIWMXLHUDY-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