General Information of the Compound
| Compound ID |
CP0116700
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| Compound Name |
1-({4-[3-(Trifluoromethyl)-4,7-dihydropyrano[3,4-c]pyrazol-1(5H)-yl]phenyl}methyl)-2-pyrrolidinone
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| Structure |
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| Formula |
C18H18F3N3O2
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| Molecular Weight |
365.355
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| Canonical SMILES |
FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1
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| InChI |
InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-7-9-26-11-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2
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| InChIKey |
GWGLGISJEZMMGU-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