General Information of the Compound
| Compound ID |
CP0093219
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| Compound Name |
3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)pyridin-2-yl)(methyl)amino)methyl)benzoic acid
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| Structure |
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| Formula |
C27H24Cl3N3O4
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| Molecular Weight |
560.865
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| Canonical SMILES |
CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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| InChIKey |
IIBBKFGPSAHSTP-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