General Information of the Compound
| Compound ID |
CP0472046
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| Compound Name |
2-(dimethylamino)ethyl 7-(3-(3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C25H22F3N5O3
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| Molecular Weight |
497.477
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| Canonical SMILES |
CN(C)CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H22F3N5O3/c1-32(2)11-12-36-24(35)20-15-30-33-21(9-10-29-22(20)33)16-5-4-8-19(14-16)31-23(34)17-6-3-7-18(13-17)25(26,27)28/h3-10,13-15H,11-12H2,1-2H3,(H,31,34)
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| InChIKey |
PWKVECBFGMGWLG-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