General Information of the Compound
| Compound ID |
CP0954211
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| Compound Name |
3-(4-(3,5-difluorobenzoyl)piperidin-1-yl)-2-(isopropylamino)-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C27H29F5N6O4
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| Molecular Weight |
596.557
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| Canonical SMILES |
CC(C)Nc1nc2cc(C(=O)N(C)C)ncc2nc1N1CCC(C(=O)c2cc(F)cc(F)c2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H28F2N6O2.C2HF3O2/c1-14(2)29-23-24(31-21-13-28-20(12-19(21)30-23)25(35)32(3)4)33-7-5-15(6-8-33)22(34)16-9-17(26)11-18(27)10-16;3-2(4,5)1(6)7/h9-15H,5-8H2,1-4H3,(H,29,30);(H,6,7)
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| InChIKey |
FZMQZJZUVUCOHV-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