General Information of the Compound
| Compound ID |
CP0498796
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| Compound Name |
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(2-(diethylamino)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C27H27ClF3N7O2
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| Molecular Weight |
574.007
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C27H27ClF3N7O2/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40)
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| InChIKey |
VWBONYFKEMSEAV-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