General Information of the Compound
| Compound ID |
CP0970145
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| Compound Name |
N1-(4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)-N3-phenylisophthalamide trifluoroacetate
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| Structure |
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| Formula |
C28H27F6N3O6
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| Molecular Weight |
615.527
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| Canonical SMILES |
CC(C)(C)OC(=O)NCc1cc(OCc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N3O4.C2HF3O2/c1-25(2,3)36-24(34)30-15-18-13-21(26(27,28)29)32-22(14-18)35-16-17-8-7-9-19(12-17)23(33)31-20-10-5-4-6-11-20;3-2(4,5)1(6)7/h4-14H,15-16H2,1-3H3,(H,30,34)(H,31,33);(H,6,7)
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| InChIKey |
UGNBBXTXDBZXDU-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