General Information of the Compound
| Compound ID |
CP0968402
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| Compound Name |
2-(4-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-1H-indol-1-yl)acetic acid Trifluoroacetate
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| Structure |
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| Formula |
C17H15F3N4O5
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| Molecular Weight |
412.324
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| Canonical SMILES |
NCc1cc(Oc2cccc3c2ccn3CC(=O)O)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H14N4O3.C2HF3O2/c16-7-10-6-14(18-9-17-10)22-13-3-1-2-12-11(13)4-5-19(12)8-15(20)21;3-2(4,5)1(6)7/h1-6,9H,7-8,16H2,(H,20,21);(H,6,7)
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| InChIKey |
RLWRLVZKDLHWKX-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