General Information of the Compound
| Compound ID |
CP0443511
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| Compound Name |
4-methoxy-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C13H10F3N5O
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| Molecular Weight |
309.251
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| Canonical SMILES |
COc1nc(N)ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F
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| InChI |
InChI=1S/C13H10F3N5O/c1-22-11-9(4-18-12(17)20-11)7-2-6(13(14,15)16)3-10-8(7)5-19-21-10/h2-5H,1H3,(H,19,21)(H2,17,18,20)
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| InChIKey |
AUHZWZZQQBRYMA-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