General Information of the Compound
| Compound ID |
CP0351408
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| Compound Name |
1-[2-chloro-7-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
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| Structure |
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| Formula |
C19H15ClF3N9O2
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| Molecular Weight |
493.837
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCCO2)cnc1-n1nccn1
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| InChI |
InChI=1S/C19H15ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h3-4,6-9,13H,1-2,5H2,(H2,28,29,33)
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| InChIKey |
JPJNJCRHXRRUBG-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