General Information of the Compound
| Compound ID |
CP0195445
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| Compound Name |
4-(1-(6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)ethylamino)benzoic acid
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| Structure |
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| Formula |
C28H22Cl2F3N3O4
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| Molecular Weight |
592.401
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| Canonical SMILES |
CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
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| InChI |
InChI=1S/C28H22Cl2F3N3O4/c1-14(34-17-9-7-16(8-10-17)27(37)38)18-11-12-22(35-26(18)28(31,32)33)39-13-19-24(36-40-25(19)15-5-6-15)23-20(29)3-2-4-21(23)30/h2-4,7-12,14-15,34H,5-6,13H2,1H3,(H,37,38)
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| InChIKey |
XHLLNJOYHVNYNF-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