General Information of the Compound
| Compound ID |
CP0089286
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| Compound Name |
1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-(3-trifluoromethylphenyl)urea
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| Structure |
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| Formula |
C25H23N7O
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| Molecular Weight |
437.507
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cnc3c(ccn3c2N)-c2cnn(C)c2)c1
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| InChI |
InChI=1S/C25H23N7O/c1-16-4-3-5-20(12-16)30-25(33)29-19-8-6-17(7-9-19)22-14-27-24-21(10-11-32(24)23(22)26)18-13-28-31(2)15-18/h3-15H,26H2,1-2H3,(H2,29,30,33)
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| InChIKey |
HZIZEKOMOILAJT-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