General Information of the Compound
| Compound ID |
CP0412750
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| Compound Name |
7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C23H20F3N3O2S
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| Molecular Weight |
459.493
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| Canonical SMILES |
CC(Cc1ccccc1)(c1ccnc2c(cnn12)-c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H20F3N3O2S/c1-22(32(2,30)31,14-16-6-4-3-5-7-16)20-12-13-27-21-19(15-28-29(20)21)17-8-10-18(11-9-17)23(24,25)26/h3-13,15H,14H2,1-2H3
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| InChIKey |
ILEQZAIZTBXKOM-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