General Information of the Compound
| Compound ID |
CP0036348
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| Compound Name |
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
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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(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-7-10-26-11-15(14)24(22-16)13-5-3-12(4-6-13)17(25)23-8-1-2-9-23/h3-6H,1-2,7-11H2
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| InChIKey |
UHTWSBHKNUALPU-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