General Information of the Compound
| Compound ID |
CP0270482
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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-(4-fluoro-3-trifluoromethylphenyl)urea
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| Structure |
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| Formula |
C25H19F4N7O
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| Molecular Weight |
509.467
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| Canonical SMILES |
Cn1cc(cn1)-c1ccn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H19F4N7O/c1-35-13-15(11-32-35)18-8-9-36-22(30)19(12-31-23(18)36)14-2-4-16(5-3-14)33-24(37)34-17-6-7-21(26)20(10-17)25(27,28)29/h2-13H,30H2,1H3,(H2,33,34,37)
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| InChIKey |
GDANLBAQSDJCMC-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