General Information of the Compound
| Compound ID |
CP0397031
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| Compound Name |
ethyl 7-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C23H17F4N5O3
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| Molecular Weight |
487.413
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| Canonical SMILES |
CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H17F4N5O3/c1-2-35-21(33)16-12-29-32-19(8-9-28-20(16)32)13-4-3-5-14(10-13)30-22(34)31-15-6-7-18(24)17(11-15)23(25,26)27/h3-12H,2H2,1H3,(H2,30,31,34)
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| InChIKey |
ZGBMECOLLYUEEF-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