General Information of the Compound
| Compound ID |
CP0452240
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| Compound Name |
N-[3-[3-[4-(dimethylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H22F3N5O3S
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| Molecular Weight |
565.577
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C28H22F3N5O3S/c1-35(2)40(38,39)23-11-9-18(10-12-23)24-17-33-36-25(13-14-32-26(24)36)19-5-4-8-22(16-19)34-27(37)20-6-3-7-21(15-20)28(29,30)31/h3-17H,1-2H3,(H,34,37)
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| InChIKey |
RBGUOHBCKRTPMX-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