General Information of the Compound
| Compound ID |
CP0158299
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| Compound Name |
1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C17H17F3N6O2
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| Molecular Weight |
394.357
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| Canonical SMILES |
CO[C@@H](C)c1c(NC(=O)Nc2cncc(c2)C(F)(F)F)cnc2cc(C)nn12
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| InChI |
InChI=1S/C17H17F3N6O2/c1-9-4-14-22-8-13(15(10(2)28-3)26(14)25-9)24-16(27)23-12-5-11(6-21-7-12)17(18,19)20/h4-8,10H,1-3H3,(H2,23,24,27)/t10-/m0/s1
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| InChIKey |
JOGWVUWPXPMYRQ-JTQLQIEISA-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