General Information of the Compound
| Compound ID |
CP0288384
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| Compound Name |
3-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C30H28Cl2F3N3O4
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| Molecular Weight |
622.471
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H28Cl2F3N3O4/c1-17(2)28-20(27(37-42-28)26-21(31)5-4-6-22(26)32)16-41-24-13-12-23(29(36-24)30(33,34)35)38(3)15-19-9-7-18(8-10-19)11-14-25(39)40/h4-10,12-13,17H,11,14-16H2,1-3H3,(H,39,40)
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| InChIKey |
JCZOLRJXKOMKJT-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